2020 to Date
| Structure of the essential inner membrane lipopolysaccharide–PbgA complex Nature (2020) doi |
| Structural insights into probe-dependent positive allosterism of the GLP-1 receptor Nature Chemical Biology (2020) doi |
| Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex Nature Chemical Biology 16 (1) (2020) 15-23 doi |
| Development of an exon skipping therapy for X-linked Alport syndrome with truncating variants in COL4A5 Nature Communications 11 (1) (2020) 2777 doi |
| B38-CAP is a bacteria-derived ACE2-like enzyme that suppresses hypertension and cardiac dysfunction Nature Communications 11 (1) (2020) 1058 doi |
| A predator-prey interaction between a marine Pseudoalteromonas sp. and Gram-positive bacteria Nature Communications 11 (1) (2020) 285 doi |
| The Indian cobra reference genome and transcriptome enables comprehensive identification of venom toxins Nature Genetics (2020) doi |
| Macromolecular modeling and design in Rosetta: recent methods and frameworks Nature Methods (2020) doi |
| Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose Journal of Medicinal Chemistry (2020) doi |
| Photohormones Enable Optical Control of the Peroxisome Proliferator-Activated Receptor Gamma (PPAR) Journal of Medicinal Chemistry (2020) doi |
| Rational Design of Suprastat, a Novel Selective Histone Deacetylase 6 Inhibitor with the Ability to Potentiate Immunotherapy in Melanoma Models Journal of Medicinal Chemistry (2020) doi |
| Discovery of a Copper-Based Mcl-1 Inhibitor as an Effective Antitumor Agent Journal of Medicinal Chemistry (2020) doi |
| Identification and Optimization of Pyrrolidine Derivatives as Highly Potent Ghrelin Receptor Full Agonists Journal of Medicinal Chemistry (2020) doi |
| Chemoreactive-inspired discovery of influenza A virus dual inhibitor to block hemagglutinin-mediated adsorption and membrane fusion Journal of Medicinal Chemistry (2020) doi |
| Fragment Screening Hit Draws Attention to a Novel Transient Pocket Adjacent to the Recognition Site of the tRNA-Modifying Enzyme TGT Journal of Medicinal Chemistry (2020) doi |
| Design and Synthesis of a Trifunctional Molecular System “Programmed” to Block Epidermal Growth Factor Receptor Tyrosine Kinase, Induce High Levels of DNA Damage, and Inhibit the DNA Repair Enzyme (Poly(ADP-ribose) Polymerase) in Prostate Cancer Cells Journal of Medicinal Chemistry (2020) doi |
| Chemists: AI is here, unite to get the benefits Journal of Medicinal Chemistry (2020) doi |
| Discovery of SHP2-D26 as a First, Potent, and Effective PROTAC Degrader of SHP2 Protein Journal of Medicinal Chemistry (2020) doi |
| Structural studies on the inhibitory binding mode of aromatic coumarinic esters to human kallikrein-related peptidase 7 Journal of Medicinal Chemistry (2020) doi |
| Discovery of M-808 as a Highly Potent, Covalent, Small-Molecule Inhibitor of the Menin–MLL Interaction with Strong In Vivo Antitumor Activity Journal of Medicinal Chemistry (2020) doi |
| Computational Chemistry on a Budget – Supporting Drug Discovery with Limited Resources Journal of Medicinal Chemistry (2020) doi |
| Discovery of a Dual Tubulin Polymerization and Cell Division Cycle 20 Homologue Inhibitor via Structural Modification on Apcin Journal of Medicinal Chemistry (2020) doi |
| Molecular Interactions of Pyrazine-based Compounds to Proteins Journal of Medicinal Chemistry (2020) doi |
| Interrogating the lactate dehydrogenase tetramerization site using (stapled) peptides Journal of Medicinal Chemistry (2020) doi |
| Selective DYRK1A Inhibitor for the Treatment of Type 1 Diabetes: Discovery of 6-Azaindole Derivative GNF2133 Journal of Medicinal Chemistry (2020) doi |
| Computational Method for Structure-Based Analysis of SAR Transfer Journal of Medicinal Chemistry (2020) doi |
| Breaking the Glass Ceiling in Simulation and Modeling: Women in Pharmaceutical Discovery Journal of Medicinal Chemistry (2020) doi |
| Journeying Through the Field of Medicinal Chemistry: Perspectives from Graduate Researchers Journal of Medicinal Chemistry (2020) doi |
| Discovery of a Small Side Cavity in Sphingosine Kinase 2 that Enhances Inhibitor Potency and Selectivity Journal of Medicinal Chemistry (2020) doi |
| Structure guided design and synthesis of furyl thiazolidinedione derivatives as inhibitors of GLUT 1 and GLUT 4, and evaluation of their anti-leukemic potential European Journal of Medicinal Chemistry 202 (2020) 112603 doi |
| Discovery of novel VX-809 hybrid derivatives as F508del-CFTR correctors by molecular modeling, chemical synthesis and biological assays European Journal of Medicinal Chemistry (2020) 112833 doi |
| Discovery of the first potent and selective αvβ5 integrin inhibitor based on an amide-containing core European Journal of Medicinal Chemistry (2020) 112719 doi |
| Synthesis of biphenyl oxazole derivatives via Suzuki coupling and biological evaluations as nucleotide pyrophosphatase/phosphodiesterase-1 and -3 inhibitors European Journal of Medicinal Chemistry (2020) 112759 doi |
| Expanding the anticancer potential of 1,2,3-triazoles via simultaneously targeting Cyclooxygenase-2, 15-lipoxygenase and tumor-associated carbonic anhydrases European Journal of Medicinal Chemistry 200 (2020) 112439 doi |
| Design, synthesis, in vitro and in vivo biological evaluation of 2-amino-3-aroylbenzo[b]furan derivatives as highly potent tubulin polymerization inhibitors European Journal of Medicinal Chemistry 200 (2020) 112448 doi |
| Identification of a new series of flavopiridol-like structures as kinase inhibitors with high cytotoxic potency European Journal of Medicinal Chemistry 199 (2020) 112355 doi |
| Design, synthesis and biological evaluation of pyrazolo[3,4-d]pyrimidine-based protein kinase D inhibitors European Journal of Medicinal Chemistry (2020) 112638 doi |
| (±)-trans-2-phenyl-2,3-dihydrobenzofurans as leishmanicidal agents: synthesis, in vitro evaluation and SAR analysis European Journal of Medicinal Chemistry (2020) 112493 doi |
| A combinatorial target screening strategy for deorphaning macromolecular targets of natural product European Journal of Medicinal Chemistry (2020) 112644 doi |
| Identification of Novel Quinoline Analogues Bearing Thiazolidinones as Potent Kinase Inhibitors for the Treatment of Colorectal Cancer European Journal of Medicinal Chemistry (2020) 112643 doi |
| Identifying representative kinases for inhibitor evaluation via systematic analysis of compound-based target relationships European Journal of Medicinal Chemistry (2020) 112641 doi |
| Open and rearranged norbornane derived polycyclic cage molecules as potential neuroprotective agents through attenuation of MPP+- and calcium overload-induced excitotoxicity in neuroblastoma SH-SY5Y cells European Journal of Medicinal Chemistry (2020) 112617 doi |
| Rationally Engineered Prolyl Endopeptidases from Sphingomonas Capsulata with Improved Hydrolytic Activity towards Pathogenic Peptides of Celiac Diseases European Journal of Medicinal Chemistry (2020) 112499 doi |
| Design, synthesis and biological evaluation of rasagiline-clorgyline hybrids as novel dual inhibitors of monoamine oxidase-B and amyloid-β aggregation against Alzheimer's disease European Journal of Medicinal Chemistry (2020) 112475 doi |
| Discovery of first-in-class multi-target adenosine A2A receptor antagonists-carbonic anhydrase IX and XII inhibitors. 8-Amino-6-aryl-2-phenyl-1,2,4-triazolo [4,3-a]pyrazin-3-one derivatives as new potential antitumor agents European Journal of Medicinal Chemistry (2020) 112478 doi |
| Radiomodulatory effect of a non-electrophilic NQO1 inducer identified in a screen of new 6, 8-diiodoquinolin-4(3H)-ones carrying a sulfonamide moiety European Journal of Medicinal Chemistry (2020) 112467 doi |
| Iodoquinazolinones bearing benzenesulfonamide as human carbonic anhydrase I, II, IX and XII inhibitors: Synthesis, biological evaluation and radiosensitizing activity European Journal of Medicinal Chemistry (2020) 112449 doi |
| Synthesis and anticancer activity of thiourea derivatives bearing a benzodioxole moiety with EGFR inhibitory activity, apoptosis assay and molecular docking study European Journal of Medicinal Chemistry (2020) 112363 doi |
| Antioxidant activity of novel quinazolinones bearing sulfonamide: Potential radiomodulatory effects on liver tissues via NF-κB/ PON1 pathway European Journal of Medicinal Chemistry (2020) 112333 doi |
| Ligand- and structural-based discovery of potential small molecules that target the colchicine site of tubulin for cancer treatment European Journal of Medicinal Chemistry (2020) 112328 doi |
| Design, synthesis, and pharmacological evaluation of 4- or 6-phenyl-pyrimidine derivatives as novel and selective Janus kinase 3 inhibitors European Journal of Medicinal Chemistry 191 (2020) 112148 doi |
| Identification of tetracyclic lactams as NMDA receptor antagonists with potential application in neurological disorders European Journal of Medicinal Chemistry (2020) 112242 doi |
| Negative allosteric modulators of the GluN2B NMDA receptor with phenylethylamine structure embedded in ring-expanded and ring-contracted scaffolds European Journal of Medicinal Chemistry 190 (2020) 112138 doi |
| Ferrocene-containing hybrids as potential anticancer agents: Current developments, mechanisms of action and structure-activity relationships European Journal of Medicinal Chemistry 190 (2020) 112109 doi |
| Comparative analysis of the dual EGFR-DNA targeting and growth inhibitory properties of 6-mono-alkylamino- and 6,6-dialkylaminoquinazoline-based type II combi-molecules European Journal of Medicinal Chemistry (2020) 112185 doi |
| Discovery of pyrazole derivatives as cellular active inhibitors of histone lysine specific demethylase 5B (KDM5B/JARID1B) European Journal of Medicinal Chemistry (2020) 112161 |
| Pyrrolo and pyrrolopyrimidine sulfonamides act as cytotoxic agents in hypoxia via inhibition of transmembrane carbonic anhydrases European Journal of Medicinal Chemistry 188 (2020) 112021 doi |
| Discovery of novel tRNA-amino acid dual-site inhibitors against threonyl-tRNA synthetase by fragment-based target hopping European Journal of Medicinal Chemistry 187 (2020) 111941 doi |
| Recent advances in the development of ubiquitin-specific-processing protease 7 (USP7) inhibitors European Journal of Medicinal Chemistry (2020) 112107 doi |
| β-Lactams with antiproliferative and antiapoptotic activity in breast and chemoresistant colon cancer cells European Journal of Medicinal Chemistry (2020) 112050 doi |
| Characterization of the trypsin-III from Monterey sardine (Sardinops caeruleus): Insights on the cold-adaptation from the A236N mutant International Journal of Biological Macromolecules (2020) doi |
| Role of carboxylic group pattern on protein surface in the recognition of iron oxide nanoparticles: A key for protein corona formation International Journal of Biological Macromolecules (2020) doi |
| Predicting liver cytosol stability of small molecules Journal of Cheminformatics 12 (1) (2020) 21 doi |
| COVER: conformational oversampling as data augmentation for molecules Journal of Cheminformatics 12 (1) (2020) 18 doi |
| ADMET evaluation in drug discovery. 20. Prediction of breast cancer resistance protein inhibition through machine learning Journal of Cheminformatics 12 (1) (2020) 16 doi |
| Integrated structural and functional analysis of the protective effects of kinetin against oxidative stress in mammalian cellular systems Scientific Reports 10 (1) (2020) 13330 doi |
| Exploring the molecular determinants for subtype-selectivity of 2-amino-1,4,5,6-tetrahydropyrimidine-5-carboxylic acid analogs as betaine/GABA transporter 1 (BGT1) substrate-inhibitors Scientific Reports 10 (1) (2020) 12992 doi |
| Conservation of Cdc14 phosphatase specificity in plant fungal pathogens: implications for antifungal development Scientific Reports 10 (1) (2020) 12073 doi |
| Synthesis, in vitro urease inhibitory potential and molecular docking study of benzofuran-based-thiazoldinone analogues Scientific Reports 10 (1) (2020) 10673 doi |
| Theoretical insights on helix repacking as the origin of P-glycoprotein promiscuity Scientific Reports 10 (1) (2020) 9823 doi |
| PKA and Ube3a regulate SK2 channel trafficking to promote synaptic plasticity in hippocampus: Implications for Angelman Syndrome Scientific Reports 10 (1) (2020) 9824 doi |
| Discovery of a new sialic acid binding region that regulates Siglec-7 Scientific Reports 10 (1) (2020) 8647 doi |
| Alteration of Protein Binding Affinities by Aqueous Two-Phase Systems Revealed by Pressure Perturbation Scientific Reports 10 (1) (2020) 8074 doi |
| Comparative Analyses of the Conformational Dynamics Between the Soluble and Membrane-Bound Cytokine Receptors Scientific Reports 10 (1) (2020) 7399 doi |
| N,N-Dimethylaminopyrene as a fluorescent affinity mass tag for ligand-binding mode analysis Scientific Reports 10 (1) (2020) 7311 doi |
| Nucleic acid recognition and antiviral activity of 1,4-substituted terphenyl compounds mimicking all faces of the HIV-1 Rev protein positively-charged α-helix Scientific Reports 10 (1) (2020) 7190 doi |
| Effect of UVC Irradiation on the Oxidation of Histidine in Monoclonal Antibodies Scientific Reports 10 (1) (2020) 6333 doi |
| Synthesis, biological activity and molecular modeling study of novel 1,2,4-triazolo[4,3-b][1,2,4,5]tetrazines and 1,2,4-triazolo[4,3-b][1,2,4]triazines Scientific Reports 10 (1) (2020) 6137 doi |
| N-Phenethyl Substitution in 14-Methoxy-N-methylmorphinan-6-ones Turns Selective µ Opioid Receptor Ligands into Dual µ/δ Opioid Receptor Agonists Scientific Reports 10 (1) (2020) 5653 doi |
| Human PZP and common marmoset A2ML1 as pregnancy related proteins Scientific Reports 10 (1) (2020) 5088 doi |
| T-Cell Receptor Variable β Domains Rigidify During Affinity Maturation Scientific Reports 10 (1) (2020) 4472 doi |
| UHPLC-QTOF-MS/MS based phytochemical characterization and anti-hyperglycemic prospective of hydro-ethanolic leaf extract of Butea monosperma Scientific Reports 10 (1) (2020) 3530 doi |
| Evolved Fusarium oxysporum laccase expressed in Saccharomyces cerevisiae Scientific Reports 10 (1) (2020) 3244 doi |
| Improvement in predicting drug sensitivity changes associated with protein mutations using a molecular dynamics based alchemical mutation method Scientific Reports 10 (1) (2020) 2161 doi |
| Target protein-oriented isolation of Hes1 dimer inhibitors using protein based methods Scientific Reports 10 (1) (2020) 1381 doi |
| Sodium-induced population shift drives activation of thrombin Scientific Reports 10 (1) (2020) 1086 doi |
| Targeting Forward and Reverse EphB4/EFNB2 Signaling by a Peptide with Dual Functions Scientific Reports 10 (1) (2020) 520 doi |
| Assessment of the fragment docking program SEED Journal of Chemical Information and Modeling (2020) doi |
| MovableType Software for Fast Free-Energy based Virtual Screening: Protocol Development, Deployment, Validation and Assessment Journal of Chemical Information and Modeling (2020) doi |
| The use of methods of computer-aided drug discovery in the development of topoisomerase-II inhibitors. Applications and future directions Journal of Chemical Information and Modeling (2020) doi |
| AutoPH4: An automated method for generating pharmacophore models from protein binding pockets Journal of Chemical Information and Modeling (2020) doi |
| Solvation Thermodynamics in Different Solvents – Water-Chloroform Partition Coefficients from Grid Inhomogeneous Solvation Theory Journal of Chemical Information and Modeling (2020) doi |
| How Do Small Molecule Aggregates Inhibit Enzyme Activity? A Molecular Dynamics Study Journal of Chemical Information and Modeling (2020) doi |
| Use of Extended-Hückel Descriptors for Rapid and Accurate Predictions of Conjugated Torsional Energy Barriers Journal of Chemical Information and Modeling (2020) doi |
| Coarse-grained diffraction template matching model to retrieve multi-conformational models for biomolecule structures from noisy diffraction patterns Journal of Chemical Information and Modeling (2020) doi |
| Quantum Mechanical Investigation of Three-Dimensional Activity Cliffs Using the Molecules-in-Molecules Fragmentation-Based Method Journal of Chemical Information and Modeling (2020) doi |
| Prediction of the Favorable Hydration Sites in a Protein Binding Pocket and Its Application to Scoring Function Formulation Journal of Chemical Information and Modeling (2020) doi |
| Higher Accuracy Achieved for Protein-Ligand Binding Pose Prediction by Elastic Network Model Based Ensemble Docking Journal of Chemical Information and Modeling (2020) doi |
| Improving Docking-based Virtual Screening Ability by Integrating Multiple Energy Auxiliary Terms from Molecular Docking Scoring Journal of Chemical Information and Modeling (2020) doi |
| Catalytic Site pKa Values of Aspartic, Cysteine and Serine Proteases – Constant pH MD Simulations Journal of Chemical Information and Modeling (2020) doi |
| TeroKit: A Database-driven Web Server for Terpenome Research Journal of Chemical Information and Modeling (2020) doi |
| Cov_FB3D: A de novo covalent drug design protocol integrating the BA-SAMP strategy and machine-learning-based synthetic tractability evaluation Journal of Chemical Information and Modeling (2020) doi |
| Experimental error, kurtosis, activity cliffs, and methodology: What limits the predictivity of QSAR models? Journal of Chemical Information and Modeling (2020) doi |
| Flexible fitting of small-molecules into electron microscopy maps using molecular dynamics simulations with Neural Network Potentials Journal of Chemical Information and Modeling (2020) doi |
| Structural Analysis and Identification of False Positive Hits in Luciferase-based Assays Journal of Chemical Information and Modeling (2020) doi |
| STACKED – Solvation Theory of Aromatic Complexes as Key for Estimating Drug binding Journal of Chemical Information and Modeling (2020) doi |
| Smallest Maximum Intramolecular Distance: A Novel Method to Mitigate PXR Activation Journal of Chemical Information and Modeling (2020) doi |
| Structural stability predicts the binding mode of protein-ligand complexes Journal of Chemical Information and Modeling (2020) doi |
| Protein-Ligand Complex Solvation Thermodynamics: Development, Parameterization and Testing of GIST-based Solvent Functionals Journal of Chemical Information and Modeling (2020) doi |
| Identification of novel scaffold using ligand and structure based approach targeting shikimate kinase Bioorganic Chemistry (2020) 104083 doi |
| Synthesis, characterization, in vitro tissue-nonspecific alkaline phosphatase (TNAP) and intestinal alkaline phosphatase (IAP) inhibition studies and computational evaluation of novel thiazole derivatives Bioorganic Chemistry (2020) 104088 doi |
| Novel triazolophthalazine-hydrazone hybrids as potential PCAF inhibitors: Design, synthesis, in vitro anticancer evaluation, apoptosis, and molecular docking studies Bioorganic Chemistry 100 (2020) 103899 doi |
| Structural optimization of imidazothiazole derivatives affords a new promising series as B-Raf V600E inhibitors; synthesis, in vitro assay and in silico screening Bioorganic Chemistry 100 (2020) 103967 doi |
| Design, Synthesis and Neuropharmacological Evaluation of New 2,4-Disbsituted-1,5-Benzodiazepines as CNS Active Agents Bioorganic Chemistry (2020) 104010 doi |
| 2-Anilinopyrimidine derivatives: Design, synthesis, in vitro anti-proliferative activity, EGFR and ARO inhibitory activity, cell cycle analysis and molecular docking study Bioorganic Chemistry 99 (2020) 103798 doi |
| Discovery of novel dual PPARα/δ agonists based on benzimidazole scaffold for the treatment of non-alcoholic fatty liver disease Bioorganic Chemistry 99 (2020) 103803 doi |
| Nitric oxide inhibitory iridoids as potential anti-inflammatory agents from Valeriana jatamansi Bioorganic Chemistry (2020) 103974 doi |
| Synthesis and molecular docking study of new pyrazole derivatives as potent anti-breast cancer agents targeting VEGFR-2 kinase Bioorganic Chemistry (2020) 103916 doi |
| Discovery of novel N-substituted thiazolidinediones (TZDs) as HDAC8 inhibitors: in-silico studies, synthesis, and biological evaluation Bioorganic Chemistry (2020) 103934 doi |
| Synthesis, in vivo anti-inflammatory, COX-1/COX-2 and 5-LOX inhibitory activities of new 2,3,4-trisubstituted thiophenes Bioorganic Chemistry (2020) 103890 doi |
| Discovery of thiazole-based-chalcones and 4-hetarylthiazoles as potent anticancer agents: Synthesis, docking study and anticancer activity Bioorganic Chemistry 98 (2020) 103761 doi |
| Synthesis, Evaluation of Thymidine Phosphorylase and Angiogenic Inhibitory Potential of Ciprofloxacin Analogues: Repositioning of Ciprofloxacin from Antibiotic to Future Anticancer Drugs Bioorganic Chemistry (2020) 103876 doi |
| 1,4,5,6,7,8-Hexahydroquinolines and 5,6,7,8-tetrahydronaphthalenes: A new class of antitumor agents targeting the colchicine binding site of tubulin Bioorganic Chemistry (2020) 103831 doi |
| Antimicrobial evaluation of thiadiazino and thiazolo quinoxaline hybrids as potential DNA gyrase inhibitors; design, synthesis, characterization and morphological studies Bioorganic Chemistry (2020) 103841 doi |
| Uses of cyclohexane-1,3-dione for the synthesis of 1,2,4-triazine derivatives as anti-proliferative agents and tyrosine kinases inhibitors Bioorganic Chemistry 97 (2020) 103667 doi |
| Further insight into the dual COX-2 and 15-LOX anti-inflammatory activity of 1,3,4-thiadiazole-thiazolidinone hybrids: The contribution of the substituents at 5th positions is size dependent Bioorganic Chemistry 97 (2020) 103657 doi |
| Design, synthesis and biological evaluation of 2-alkoxycarbonyl-3-anilinoindoles as a new class of potent inhibitors of tubulin polymerization Bioorganic Chemistry 97 (2020) 103665 doi |
| Some 1,3,5-Trisubstituted Pyrazoline Derivatives Targeting Breast Cancer: Design, Synthesis, Cytotoxic activity, EGFR inhibition and Molecular docking Bioorganic Chemistry (2020) 103780 doi |
| The Rational Design, Synthesis, and Antimicrobial Investigation of 2-Amino-4-Methylthiazole Analogues Inhibitors of GlcN-6-P Synthase Bioorganic Chemistry (2020) 103781 doi |
| Synthesis, biological evaluation, and docking studies of new pyrazole-based thiourea and sulfonamide derivatives as inhibitors of nucleotide pyrophosphatase/phosphodiesterase Bioorganic Chemistry (2020) 103783 doi |
| Extending the use of tadalafil scaffold: development of novel selective phosphodiesterase 5 inhibitors and histone deacetylase inhibitors Bioorganic Chemistry (2020) 103742 doi |
| Design and Synthesis of some new 2,4,6-trisubstituted quinazoline EGFR inhibitors as targeted anticancer agents Bioorganic Chemistry (2020) 103726 doi |
| Synthesis, Anticancer Evaluation and Molecular Docking Studies of New Heterocycles Linked to Sulfonamide Moiety as Novel Human Topoisomerase Types I and II Poisons Bioorganic Chemistry (2020) 103725 doi |
| Tacrine-xanomeline and tacrine-iperoxo hybrid ligands: Synthesis and biological evaluation at acetylcholinesterase and M1 muscarinic acetylcholine receptors Bioorganic Chemistry 96 (2020) 103633 doi |
| Antimicrobial screening and pharmacokinetic profiling of novel phenyl-[1,2,4]triazolo[4,3-a]quinoxaline analogues targeting DHFR and E. coli DNA gyrase B Bioorganic Chemistry 96 (2020) 103656 doi |
| Design, synthesis, in vitro antimicrobial evaluation and molecular docking studies of indol-2-one tagged with morpholinosulfonyl moiety as DNA gyrase inhibitors Bioorganic Chemistry 96 (2020) 103619 doi |
| Design, synthesis and biological evaluation of novel 5,6,7-trimethoxy-N-aryl-2-styrylquinolin-4-amines as potential anticancer agents and tubulin polymerization inhibitors Bioorganic Chemistry (2020) 103711 doi |
| Bioactive bisbenzylisoquinoline alkaloids from the roots of Stephania tetrandra Bioorganic Chemistry (2020) 103697 doi |
| Design, green one-pot synthesis and molecular docking study of novel N,N-bis(cyanoacetyl)hydrazines and bis-coumarins as effective inhibitors of DNA gyrase and topoisomerase IV Bioorganic Chemistry (2020) 103672 doi |
| Synthesis of sulpha drug based hydroxytriazene derivatives: anti-diabetic, antioxidant, anti-inflammatory activity and their molecular docking studies Bioorganic Chemistry (2020) 103642 doi |
| Tsaokopyranols A–M, 2,6-epoxydiarylheptanoids from Amomum tsao-ko and their α-glucosidase inhibitory activity Bioorganic Chemistry (2020) 103638 doi |
| Synthesis of some N-aroyl-2-oxindole benzenesulfonamide conjugates with carbonic anhydrase inhibitory activity Bioorganic Chemistry (2020) 103635 doi |
| Novel Pyrazine Based Anti-tubercular Agents: Design, Synthesis, Biological Evaluation and In Silico Studies Bioorganic Chemistry (2020) 103610 doi |
| Structure-based design and optimization of pyrimidine- and 1,2,4-triazolo[4,3-a]pyrimidine-based matrix metalloproteinase-10/13 inhibitors via Dimroth rearrangement towards targeted polypharmacology Bioorganic Chemistry (2020) 103616 doi |
| Benzoxazole Derivatives as New Generation of Anti-breast Cancer Agents Bioorganic Chemistry (2020) 103593 doi |
| Design, synthesis and biological evaluation of erythrina derivatives bearing a 1,2,3-triazole moiety as PARP-1 inhibitors Bioorganic Chemistry (2020) 103575 doi |
| Synthesis, molecular docking and biological evaluation of 2-(thiophen-2-yl)-1H-indoles as potent HIV-1 non-nucleoside reverse transcriptase inhibitors Bioorganic Chemistry 95 (2020) 103521 doi |
| Synthesis and selective inhibitory effects of some 2-oxindole benzenesulfonamide conjugates on human carbonic anhydrase isoforms CA I, CA II, CA IX and CAXII Bioorganic Chemistry 95 (2020) 103514 doi |
| Prediction of ligand binding mode among multiple cross-docking poses by molecular dynamics simulations Journal of Computer-Aided Molecular Design (2020) doi |
| ReSCoSS: a flexible quantum chemistry workflow identifying relevant solution conformers of drug-like molecules Journal of Computer-Aided Molecular Design (2020) doi |
| Benchmarking GPCR homology model template selection in combination with de novo loop generation Journal of Computer-Aided Molecular Design (2020) doi |
| Improving the binding affinity estimations of protein–ligand complexes using machine-learning facilitated force field method Journal of Computer-Aided Molecular Design (2020) doi |
| Towards the understanding of the activity of G9a inhibitors: an activity landscape and molecular modeling approach Journal of Computer-Aided Molecular Design (2020) doi |
| SAMPL6 logP challenge: machine learning and quantum mechanical approaches Journal of Computer-Aided Molecular Design (2020) doi |
| Conformational analysis of macrocycles: comparing general and specialized methods Journal of Computer-Aided Molecular Design (2020) doi |
| Identifying Ortholog Selective Fragment Molecules for Bacterial Glutaredoxins by NMR and Affinity Enhancement by Modification with an Acrylamide Warhead Molecules 25 (1) (2020) doi |
| N-Pyrazinoyl Substituted Amino Acids as Potential Antimycobacterial Agents—The Synthesis and Biological Evaluation of Enantiomers Molecules 25 (7) (2020) doi |
| Novel Peptide CM 7 Targeted c-Met with Antitumor Activity Molecules 25 (3) (2020) doi |
| Oligomeric Procyanidin Nanoliposomes Prevent Melanogenesis and UV Radiation-Induced Skin Epithelial Cell (HFF-1) Damage Molecules 25 (6) (2020) doi |
| Substituted N-(Pyrazin-2-yl)benzenesulfonamides; Synthesis, Anti-Infective Evaluation, Cytotoxicity, and In Silico Studies Molecules 25 (1) (2020) doi |
| Metronidazole and Secnidazole Carbamates: Synthesis, Antiprotozoal Activity, and Molecular Dynamics Studies Molecules 25 (4) (2020) doi |
| QSAR Model of Indeno[1,2-b]indole Derivatives and Identification of N-isopentyl-2-methyl-4,9-dioxo-4,9-Dihydronaphtho[2,3-b]furan-3-carboxamide as a Potent CK2 Inhibitor Molecules 25 (1) (2020) doi |
| Bioassay-Guided Isolation, Metabolic Profiling, and Docking Studies of Hyaluronidase Inhibitors from Ravenala madagascariensis Molecules 25 (7) (2020) doi |
| Towards an Understanding of the Mode of Action of Human Aromatase Activity for Azoles through Quantum Chemical Descriptors-Based Regression and Structure Activity Relationship Modeling Analysis Molecules 25 (3) (2020) doi |
| Synthesis and Biological Evaluation of New Antitubulin Agents Containing 2-(3′,4′,5′-trimethoxyanilino)-3,6-disubstituted-4,5,6,7-tetrahydrothieno[2,3-c]pyridine Scaffold Molecules 25 (7) (2020) doi |
| How Computational Chemistry and Drug Delivery Techniques Can Support the Development of New Anticancer Drugs Molecules 25 (7) (2020) doi |
| Prediction Model of Aryl Hydrocarbon Receptor Activation by a Novel QSAR Approach, DeepSnap–Deep Learning Molecules 25 (2020) 1317 doi |
| DNA-Binding and Anticancer Activity of Binuclear Gold(I) Alkynyl Complexes with a Phenanthrenyl Bridging Ligand Molecules 25 (5) (2020) doi |
| Synthesis, Biological Assessment, and Structure Activity Relationship Studies of New Flavanones Embodying Chromene Moieties Molecules 25 (3) (2020) doi |
| Virtual Screening Identifies Chebulagic Acid as an Inhibitor of the M2(S31N) Viral Ion Channel and Influenza A Virus Molecules 25 (12) (2020) doi |
| Structure-Based Virtual Screening and Biological Evaluation of Peptide Inhibitors for Polo-Box Domain Molecules 25 (1) (2020) doi |
| Synthesis and Biological Evaluation of Novel (thio)semicarbazone-Based Benzimidazoles as Antiviral Agents against Human Respiratory Viruses Molecules 25 (7) (2020) doi |
| Targeting Receptor Tyrosine Kinase VEGFR-2 in Hepatocellular Cancer: Rational Design, Synthesis and Biological Evaluation of 1,2-Disubstituted Benzimidazoles Molecules 25 (4) (2020) doi |
| Promising Terpenes as Natural Antagonists of Cancer: An In-Silico Approach Molecules 25 (1) (2020) doi |
| AEDG Peptide (Epitalon) Stimulates Gene Expression and Protein Synthesis during Neurogenesis: Possible Epigenetic Mechanism Molecules 25 (3) (2020) doi |
| Potential Dental Biofilm Inhibitors: Dynamic Combinatorial Chemistry Affords Sugar-Based Molecules that Target Bacterial Glucosyltransferase ChemMedChem n/a (n/a) (2020) doi |
| Enantiomerically Pure Quinoline-Based κ-Opioid Receptor Agonists: Chemoenzymatic Synthesis and Pharmacological Evaluation ChemMedChem n/a (n/a) (2020) doi |
| Novel, dual target-directed annelated xanthine derivatives acting on adenosine receptors and monoamine oxidase B ChemMedChem n/a (n/a) (2020) doi |
| Evaluating kratom alkaloids using PHASE PLOS ONE 15 (3) (2020) e0229646 doi |
| Modeling and mitigation of high-concentration antibody viscosity through structure-based computer-aided protein design PLOS ONE 15 (5) (2020) e0232713 doi |
| Piperidine scaffold as the novel P2-ligands in cyclopropyl-containing HIV-1 protease inhibitors: Structure-based design, synthesis, biological evaluation and docking study PLOS ONE 15 (7) (2020) e0235483 doi |
| Development of the first in vivo GPR17 ligand through an iterative drug discovery pipeline: A novel disease-modifying strategy for multiple sclerosis PLOS ONE 15 (4) (2020) e0231483 doi |
| Side chain flexibility and the symmetry of protein homodimers PLOS ONE 15 (7) (2020) e0235863 doi |
| Physicochemical Characterization, Molecular Docking, and In Vitro Dissolution of Glimepiride–Captisol Inclusion Complexes ACS Omega (2020) doi |
| Antiarthritic Potential of Comprehensively Standardized Extract of Alternanthera bettzickiana: In Vitro and In Vivo Studies ACS Omega (2020) doi |
| 2D-QSAR Modeling and Molecular Docking Studies on 1H-Pyrazole-1-carbothioamide Derivatives as EGFR Kinase Inhibitors ACS Omega (2020) doi |
| Understanding the Contribution of Individual Amino Acid Residues in the Binding of Psychoactive Substances to Monoamine Transporters ACS Omega (2020) doi |
| In Silico Study and Pharmacological Evaluation of Eplerinone as an Anti-Alzheimer’s Drug in STZ-Induced Alzheimer’s Disease Model ACS Omega (2020) doi |
| Structural Basis of Activin Receptor-Like Kinase 2 (R206H) Inhibition by Bis-heteroaryl Pyrazole-Based Inhibitors for the Treatment of Fibrodysplasia Ossificans Progressiva Identified by the Integration of Ligand-Based and Structure-Based Drug Design Approaches ACS Omega (2020) doi |
| Design, Synthesis, and Antimicrobial Evaluation of a New Series of N-Sulfonamide 2-Pyridones as Dual Inhibitors of DHPS and DHFR Enzymes ACS Omega (2020) doi |
| Synthesis and Biological Activities of Some New Benzotriazinone Derivatives Based on Molecular Docking; Promising HepG2 Liver Carcinoma Inhibitors ACS Omega (2020) doi |
| Macrocyclic Peptides Uncover a Novel Binding Mode for Reversible Inhibitors of LSD1 ACS Omega (2020) doi |
| Computational Analysis of Crystallization Additives for the Identification of New Allosteric Sites ACS Omega (2020) doi |
| Efficient Synthesis and Docking Studies of Novel Benzothiazole-Based Pyrimidinesulfonamide Scaffolds as New Antiviral Agents and Hsp90α Inhibitors ACS Omega (2020) doi |
| Design, synthesis, and cytotoxicity screening of new synthesized imidazolidine-2-thiones as VEGFR-2 enzyme inhibitors Archiv der Pharmazie n/a (n/a) (2020) e2000121 doi |
| Probing simple structural modification of α-mangostin on its cholinesterase inhibition and cytotoxicity Archiv der Pharmazie n/a (n/a) (2020) e2000156 doi |
| Anti-inflammatory and analgesic effect of LD-RT and some novel thiadiazole derivatives through COX-2 inhibition Archiv der Pharmazie n/a (n/a) (2020) e2000094 doi |
| Design, synthesis, and in vitro biological evaluation of novel thiazolopyrimidine derivatives as antileishmanial compounds Archiv der Pharmazie n/a (n/a) (2020) e1900325 doi |
| Novel pyrazolopyrimidine urea derivatives: Synthesis, antiproliferative activity, VEGFR-2 inhibition, and effects on the cell cycle profile Archiv der Pharmazie n/a (n/a) (2020) e1900319 doi |
| Design, synthesis, and molecular docking of novel 2-arylbenzothiazole multiangiokinase inhibitors targeting breast cancer Archiv der Pharmazie n/a (n/a) (2020) e1900340 doi |
| Synthesis and biological evaluation of pyrazolone analogues as potential anti-inflammatory agents targeting cyclooxygenases and 5-lipoxygenase Archiv der Pharmazie n/a (n/a) (2020) e1900308 doi |
| Synthesis, in-vitro and in-silico study of novel thiazoles as potent antibacterial agents and MurB inhibitors Archiv der Pharmazie n/a (n/a) (2020) e1900309 doi |
| rac- and meso-Cyclohexanoids: Their α-, β-glycosidases, antibacterial, antifungal activities, and molecular docking studies Archiv der Pharmazie n/a (n/a) (2020) e1900267 doi |
| Ball milling approach to prepare new Cd(II) and Zn(II) complexes; characterization, crystal packing, cyclic voltammetry and MOE-docking agrees with biological assay Journal of Molecular Structure 1218 (2020) 128473 doi |
| Structural basis of binding and justification for the urease inhibitory activity of acetamide hybrids of N-substituted 1,3,4-oxadiazoles and piperidines Journal of Molecular Structure (2020) 129141 doi |
| Novel Cu(II) and Zn(II) Nanocomplexes Drug Based on Hydrazone Ligand Bearings Chromone and Triazine moieties: Structural, Spectral, DFT, Molecular Docking and Cytotoxic Studies Journal of Molecular Structure (2020) 129158 doi |
| Molecular Encapsulation Study of Indole-3-methanol in Cyclodextrins: Effect on Antimicrobial Activity and Cytotoxicity Journal of Molecular Structure (2020) 129093 doi |
| Crystal structure, DFT, antimicrobial, anticancer and molecular docking of (4E)-4-((aryl)methyleneamino)-1,2-dihydro-2,3-dimethyl-1-phenylpyrazol-5-one Journal of Molecular Structure 1213 (2020) 128185 doi |
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| Isatin Containing Heterocycles for different biological activities: Analysis of Structure activity relationship Journal of Molecular Structure (2020) 128900 doi |
| Isatin based thiosemicarbazide derivatives as potential inhibitor of α-glucosidase, synthesis and their molecular docking study Journal of Molecular Structure (2020) 128922 doi |
| Synthesis, structural properties, enzyme inhibition and molecular docking studies of (Z)-N'-(1-allyl-2-oxoindolin-3-ylidene) methanesulfono-hydrazide and (Z)-N'-(1-allyl-2-oxoindolin-3-ylidene)-3-nitrobenzenesulfono-hydrazide Journal of Molecular Structure (2020) 128880 doi |
| Synthesis, characterization and molecular modeling of amino derived thiazolidinones as esterase and glucosidase inhibitors Journal of Molecular Structure (2020) 128609 doi |
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| Design and synthesis of new flavonols as dual ɑ-amylase and ɑ-glucosidase inhibitors: Structure-activity relationship, drug-likeness, in vitro and in silico studies Journal of Molecular Structure (2020) 128458 doi |
| Insights from multispectral and molecular docking investigation on the xanthine oxidase inhibition by 1,4-dicaffeoylquinic acid Journal of Molecular Structure (2020) 128475 doi |
| QSAR modeling, docking, ADME and reactivity of indazole derivatives as antagonizes of estrogen receptor alpha (ER-α) positive in breast cancer Journal of Molecular Structure (2020) 128442 doi |
| Synthesis, characterization, computational study, DNA binding and molecular docking studies of chromium (III) drug-based complexes Journal of Molecular Structure (2020) 128283 doi |
| Synthesis, crystal structure, DFT studies and biological evaluation of N-benzamido derivatives of oxahexacycloundecyl amines: A case of enantiomerism leading to molecular disorder Journal of Molecular Structure (2020) 128248 doi |
| Synthesis, characterization of some pyrazine derivatives as anti-cancer agents: In vitro and in Silico approaches Journal of Molecular Structure (2020) 128013 doi |
| Synthesis, characterization, crystal structure and evaluation of four carbazole-coumarin hybrids as multifunctional agents for the treatment of Alzheimer's disease Journal of Molecular Structure (2020) 127897 doi |
| Computational evaluation on the molecular conformation, vibrational spectroscopy, NBO analysis and molecular docking of betaxolol and betaxolol-chlorthalidone cocrystals Journal of Molecular Structure (2020) 127744 doi |
| Spectroscopic, crystal structural, theoretical and biological studies of phenylacetohydrazide Schiff base derivatives and their copper complexes Journal of Molecular Structure (2020) 127860 doi |
| Antitumor Effects and Tumor-specificity of Guaiazulene-3-Carboxylate Derivatives Against Oral Squamous Cell Carcinoma In Vitro Anticancer Research 40 (9) (2020) 4885-4894 doi |
| Further Quantitative Structure–Cytotoxicity Relationship Analysis of 3-Styrylchromones Anticancer Research 40 (1) (2020) 87-95 doi |
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| Identification of correlated inter-residue interactions in protein complex based on the fragment molecular orbital method Journal of Molecular Graphics and Modelling (2020) 107650 doi |
| Construction of atomic models of full hepatitis B vaccine particles at different stages of maturation Journal of Molecular Graphics and Modelling 98 (2020) 107610 doi |
| Identification of potential indoleamine 2, 3-dioxygenase 1 (IDO1) inhibitors by an FBG-based 3D QSAR pharmacophore model Journal of Molecular Graphics and Modelling (2020) 107628 doi |
| Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method Journal of Molecular Graphics and Modelling (2020) 107599 doi |
| Fr-PPIChem: An academic compound library dedicated to protein-protein interactions ACS Chemical Biology (2020) doi |
| Design, Synthesis, and Characterization of the Macrocyclic Tetrapeptide cyclo[Pro-Sar-Phe-D-Phe]: a Mixed Opioid Receptor Agonist-Antagonist Following Oral Administration ACS Chemical Neuroscience (2020) doi |
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| An Evaluation of 3-Dimensionality in Existing Approved and Exper-imental Drug Space ACS Medicinal Chemistry Letters (2020) doi |
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| Phenolic Compounds from Morus nigra Regulate Viability and Apoptosis of Pancreatic β-Cells Possibly via SERCA Activity ACS Medicinal Chemistry Letters (2020) doi |
| Torin 2 derivative, NCATS-SM3710, has potent multistage antimalarial activity through inhibition of P. falciparum phosphatidylinositol 4-kinase (Pf PI4KIIIβ) ACS Pharmacology & Translational Science (2020) doi |
| Identification of natural product compounds as NS5 RDRP inhibitor for dengue virus serotype 1-4 through in silico analysis AIP Conference Proceedings 2237 (1) (2020) 020030 doi |
| Flexible molecular docking simulation of peptide compounds as inhibitor of GluI host protein for dengue fever therapy AIP Conference Proceedings 2237 (1) (2020) 020031 doi |
| Preparation and Characterization of Griseofulvin Solid Dispersions ASSAY and Drug Development Technologies 18 (3) (2020) 109-118 doi |
| Functional Metabolomics Reveal the Role of AHR/GPR35 Mediated Kynurenic acid Gradient Sensing in Chemotherapy-induced Intestinal Damage Acta Pharmaceutica Sinica B (2020) doi |
| Chrysin serves as a novel inhibitor of DGKα/FAK interaction to suppress the malignancy of esophageal squamous cell carcinoma (ESCC) Acta Pharmaceutica Sinica B (2020) doi |
| Exploration of 5-cyano-6-phenylpyrimidin derivatives containing an 1,2,3-triazole moiety as potent FAD-based LSD1 inhibitors Acta Pharmaceutica Sinica B (2020) doi |
| Facile synthesis of antibiotic encapsulated biopolymeric okra mucilage nanoparticles: molecular docking, in vitro stability and functional evaluation Advances in Natural Sciences: Nanoscience and Nanotechnology 11 (2) (2020) 025020 doi |
| Experimental Analysis of T-Cell Epitopes for Designing Liver Cancer Vaccine Predicted by System Level Immunoinformatics Approach American Journal of Physiology-Gastrointestinal and Liver Physiology (2020) doi |
| Sequential Ag+/biothiol and synchronous Ag+/Hg2+ biosensing with zwitterionic Cu2+-based metal–organic frameworks Analyst (2020) doi |
| In silico maturation of affinity and selectivity of DNA aptamers against aflatoxin B1 for biosensor development Analytica Chimica Acta (2020) doi |
| Characterization of bispecific antibody production in cell cultures by unique mixed mode size exclusion chromatography Analytical Chemistry (2020) doi |
| A Substrate-Photocaged Enzymatic Fluorogenic Probe Enabling Sequential Activation for Light-Controllably Monitoring Intracellular Tyrosinase Activity Analytical Chemistry (2020) doi |
| QSAR Modeling, Molecular Docking and Molecular Dynamics Simulations Studies of Lysine-Specific Demethylase 1 (LSD1) Inhibitors as Anticancer Agents Anti-Cancer Agents in Medicinal Chemistry 20 (2020) 1-35 doi |
| The Synthesis, Anticancer Activity, Structure-Activity Relationships and Molecular Modelling Studies of Novel Isoindole-1,3(2H)-dione Compounds Containing Different Functional Groups Anti-cancer agents in medicinal chemistry (2020) doi |
| RNA sequencing identifies a common physiology in vancomycin- and ciprofloxacin-tolerant Staphylococcus aureus induced by ileS mutations Antimicrobial Agents and Chemotherapy (2020) AAC.00827-20 doi |
| Dual SMO/BRAF Inhibition by Flavonolignans from Silybum marianum Antioxidants 9 (5) (2020) doi |
| Inhibition of herpes simplex virus by myricetin through targeting viral gD protein and cellular EGFR/PI3K/Akt pathway Antiviral Research 177 (2020) 104714 doi |
| Effect of kitasamycin and nitrofurantoin at subinhibitory concentrations on quorum sensing regulated traits of Chromobacterium violaceum Antonie van Leeuwenhoek (2020) doi |
| New Proluciferin Substrates for Human CYP4 Family Enzymes Applied Biochemistry and Biotechnology (2020) doi |
| Simultaneously Improved Thermostability and Hydrolytic Pattern of Alpha-Amylase by Engineering Central Beta Strands of TIM Barrel Applied Biochemistry and Biotechnology (2020) doi |
| Metal complexes of tetradentate azo-dye ligand derived from 4,4′-oxydianiline: Preparation, structural investigation, biological evaluation and MOE studies Applied Organometallic Chemistry n/a (n/a) (2020) e5883 doi |
| New s-block complexes of 1,10-phenanthroline and 1,3-benzothizole-2-thiolate inhibit urease in silico and in vitro Applied Organometallic Chemistry n/a (n/a) (2020) e5842 doi |
| Synthesis, spectral, MOE and cytotoxic studies of nano Ru (III), Pr (III) and Gd (III) metal complexes with new Schiff base ligand based on dibenzoyl methane and anthranilic acid Applied Organometallic Chemistry n/a (n/a) (2020) e5801 doi |
| Synthesis, reactivity, in vitro boron neutron capture therapy assay, and molecular docking of fluorocyclocarboxyboranylamine Applied Organometallic Chemistry n/a (n/a) (2020) e5714 doi |
| New Zn (II) and Cd (II) complexes of 2,4-dihydroxy-5-[(5-mercapto-1H-1,2,4-triazole-3-yl)diazenyl]benzaldehyde: Synthesis, structural characterization, molecular modeling and docking studies, DNA binding and biological activity Applied Organometallic Chemistry n/a (n/a) (2020) e5635 doi |
| Novel metal complexes of 3-acetylcoumarin-2-hydrazinobenzothiazole Schiff base: Design, structural characterizations, DNA binding, DFT calculations, molecular docking and biological studies Applied Organometallic Chemistry n/a (n/a) (2020) e5643 doi |
| Bis-dioxomolybdenum (VI) oxalyldihydrazone complexes: Synthesis, characterization, DFT studies, catalytic epoxidation potential, molecular modeling and biological evaluations Applied Organometallic Chemistry n/a (n/a) (2020) e5573 doi |
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| Synthesis, analytical and spectral characterization for new VO (II)-triazole complexes; conformational study beside MOE docking simulation features Applied Organometallic Chemistry n/a (n/a) (2020) e5505 doi |
| Green-synthesis and characterization for new Schiff-base complexes; spectroscopy, conductometry, Hirshfeld properties and biological assay enhanced by in-silico study Arabian Journal of Chemistry (2020) doi |
| Cyclometalated complexes containing ferrocenyl Schiff base: preparation, characterization, DFT calculations, application in cancer and biological researches and MOE studies Arabian Journal of Chemistry (2020) doi |
| Bioactive Fluorenes. Part II. Unprecedented biologically active thiazole derivatives based-2,7-dichlorofluorene as competent DHFR inhibitors: Design, synthesis, and molecular docking approaches Arabian Journal of Chemistry (2020) doi |
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| An Asymmetric N-Rim Partially Substituted Calix[4]pyrrole: Its Affinity for Ag(I) and its Destruction by Hg(II) Arabian Journal of Chemistry (2020) doi |
| SARS-CoV-2 nucleocapsid and Nsp3 binding: an in silico study Archives of Microbiology (2020) doi |
| Cellular levels and molecular dynamics simulations of estragole DNA adducts point at inefficient repair resulting from limited distortion of the double-stranded DNA helix Archives of Toxicology (2020) doi |
| Spectroscopic and Biophysical Studies on Chalcones and Schiff Bases Derived from Chromen-2-one and Quinoline-2(1H)-one Derivatives as Antibacterial Agents Asian Journal of Chemistry 32 (2020) 1719-1727 doi |
| Discovery of a potent SCAP degrader that ameliorates HFD-induced obesity, hyperlipidemia and insulin resistance via an autophagy-independent lysosomal pathway Autophagy (2020) 1-22 doi |
| Bioactive fluorenes. Part III: 2,7-dichloro-9H-fluorene-based thiazolidinone and azetidinone analogues as anticancer and antimicrobial against multidrug resistant strains agents BMC Chemistry 14 (1) (2020) 42 doi |
| Synthesis and biological evaluation of 2-(4-methylsulfonyl phenyl) indole derivatives: multi-target compounds with dual antimicrobial and anti-inflammatory activities BMC Chemistry 14 (1) (2020) 23 doi |
| In vivo analgesic, anti-inflammatory, and sedative activity and a molecular docking study of dinaphthodiospyrol G isolated from Diospyros lotus BMC Complementary Medicine and Therapies 20 (1) (2020) 237 doi |
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| Polyvalent therapeutic vaccine for type 2 diabetes mellitus: Immunoinformatics approach to study co-stimulation of cytokines and GLUT1 receptors BMC Molecular and Cell Biology 21 (1) (2020) 56 doi |
| Application of network pharmacology and molecular docking to elucidate the potential mechanism of Eucommia ulmoides-Radix Achyranthis Bidentatae against osteoarthritis BioData Mining 13 (1) (2020) 12 doi |
| Anti-inflammatory, Antibacterial, Toxicological Profile, and In Silico Studies of Dimeric Naphthoquinones from Diospyros lotus BioMed Research International 2020 (2020) 7942549 doi |
| Cloning and Protein Expression of eccB5 Gene in ESX-5 System from Mycobacterium tuberculosis BioResearch Open Access 9 (1) (2020) 86-93 doi |
| Discovery of alliin as a putative inhibitor of the main protease of SARS-CoV-2 by molecular docking BioTechniques 69 (2020) doi |
| Genetic variants of N-acetyltransferases 1 and 2 (NAT1 and NAT2) in cynomolgus and rhesus macaques Biochemical Pharmacology (2020) 113996 doi |
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| Identification and validation of a novel dual small-molecule TLR2/8 antagonist Biochemical Pharmacology (2020) 113957 doi |
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| Calmodulin mutant in central linker reduces the binding affinity with PreIQ and IQ while interacting with CaV1.2 channels Biochemical and Biophysical Research Communications (2020) doi |
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| Ligand and pH-induced Structure Transition of Gypsy Moth Lymantria dispar Pheromone-binding Protein 1 (LdisPBP1) Biochemistry (2020) doi |
| Barley ‘uzu’ and wheat ‘uzu-like’ Brassinosteroid Receptor BRI1 kinase domain variations modify phosphorylation activity in vitro Biochemistry (2020) doi |
| Precise Probing of Residue Roles by NRPS Code Swapping: Mutation, Enzymatic Characterization, Modeling, and Substrate Promiscuity of Aryl Acid Adenylation Domains Biochemistry (2020) doi |
| Identification and analysis of novel small molecule inhibitors of RNase E: Implications for antibacterial targeting and regulation of RNase E Biochemistry and Biophysics Reports 23 (2020) 100773 doi |
| Molecular dynamics simulation study of AG10 and tafamidis binding to the Val122Ile transthyretin variant Biochemistry and Biophysics Reports 21 (2020) 100721 doi |
| Design, synthesis, structural analysis and biochemical studies of stapled AIF(370-394) analogues as ligand of CypA Biochimica et Biophysica Acta (BBA) 1864 (12) (2020) 129717 doi |
| Kinetic and structural characterisation of the ubiquinol-binding site and oxygen reduction by the trypanosomal alternative oxidase Biochimica et Biophysica Acta (BBA) (2020) 148247 doi |
| Amlexanox exerts anti-inflammatory actions by targeting phosphodiesterase 4B in lipopolysaccharide-activated macrophages Biochimica et Biophysica Acta (BBA) (2020) 118766 doi |
| Polyamines and its analogue modulates amyloid fibrillation in lysozyme: A comparative investigation Biochimica et Biophysica Acta (BBA) 1864 (5) (2020) 129557 doi |
| Cathepsin B in neurodegeneration of Alzheimer's disease, traumatic brain injury, and related brain disorders Biochimica et Biophysica Acta (BBA) (2020) 140428 doi |
| Discovery of multidrug efflux pump inhibitors with a novel chemical scaffold Biochimica et Biophysica Acta (BBA) (2020) 129546 doi |
| Characterization of pyranose oxidase variants for bioelectrocatalytic applications Biochimica et Biophysica Acta (BBA) 1868 (2) (2020) 140335 doi |
| GM-DockZn: A Geometry Matching based Docking Algorithm for Zinc Proteins Bioinformatics (2020) doi |
| The enhancement of salt stress tolerance by salicylic acid pretreatment in Arabidopsis thaliana Biologia plantarum 64 (1) (2020) 150-158 doi |
| From in-silico to Experimental Validation: Tailoring Peptide Substrates for a Serine Protease Biomacromolecules (2020) doi |
| New calogenin pregnane glycoside derivative from Huernia saudi- arabica and its Lipase and α-Glucosidase Inhibitory Activities Biomedicine & Pharmacotherapy 127 (2020) 110143 doi |
| Comparative Structural Analysis of Different Mycobacteriophage-Derived Mycolylarabinogalactan Esterases (Lysin B) Biomolecules 10 (1) (2020) doi |
| Structure-Based Virtual Screening of Pseudomonas aeruginosa LpxA Inhibitors Using Pharmacophore-Based Approach Biomolecules 10 (2) (2020) doi |
| New Insights into Key Determinants for Adenosine 1 Receptor Antagonists Selectivity Using Supervised Molecular Dynamics Simulations Biomolecules 10 (5) (2020) doi |
| Machine Learning Approaches for Quality Assessment of Protein Structures Biomolecules 10 (4) (2020) doi |
| Combining Virtual Screening Protocol and In Vitro Evaluation towards the Discovery of BACE1 Inhibitors Biomolecules 10 (4) (2020) doi |
| Haematoxylon campechianum Extract Ameliorates Neuropathic Pain via Inhibition of NF-κB/TNF-α/NOX/iNOS Signalling Pathway in a Rat Model of Chronic Constriction Injury Biomolecules 10 (3) (2020) doi |
| Novel Thiobarbiturates as Potent Urease Inhibitors with Potential Antibacterial Activity: Design, Synthesis, Radiolabeling and Biodistribution Study Bioorganic & Medicinal Chemistry (2020) 115759 doi |
| Design and synthesis of Coenzyme A analogues as Aurora kinase A inhibitors: an exploration of the roles of the pyrophosphate and pantetheine moieties Bioorganic & Medicinal Chemistry (2020) 115740 doi |
| N-Phenyl Ureidobenzenesulfonates, a Novel Class of Promising Human Dihydroorotate Dehydrogenase Inhibitors Bioorganic & Medicinal Chemistry (2020) 115739 doi |
| Indole acrylonitriles as potential anti-hyperglycemic agents: Synthesis, α-glucosidase inhibitory activity and molecular docking studies Bioorganic & Medicinal Chemistry (2020) 115605 doi |
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| Sulfonamide-based 4-Anilinoquinoline Derivatives as Novel Dual Aurora Kinase (AURKA/B) Inhibitors: Synthesis, Biological Evaluation and In Silico Insights Bioorganic & Medicinal Chemistry (2020) 115525 doi |
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| Optimization and biological evaluation of imidazopyridine derivatives as a novel scaffold for γ-secretase modulators with oral efficacy against cognitive deficits in Alzheimer’s disease model mice Bioorganic & Medicinal Chemistry (2020) 115455 doi |
| New acrylamide-sulfisoxazole conjugates as dihydropteroate synthase inhibitors Bioorganic & Medicinal Chemistry (2020) 115444 doi |
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| Novel class of benzimidazole-thiazole hybrids: The privileged scaffolds of potent anti-inflammatory activity with dual inhibition of cyclooxygenase and 15-lipoxygenase enzymes Bioorganic & Medicinal Chemistry (2020) 115403 doi |
| Ligand-Based Design of GLUT Inhibitors as Potential Antitumor Agents Bioorganic & Medicinal Chemistry (2020) 115395 doi |
| Synthesis, biological evaluation and molecular modeling study of [1,2,4]-Triazolo[4,3-c]quinazolines: New class of EGFR-TK inhibitors Bioorganic & Medicinal Chemistry (2020) 115373 doi |
| New Thiopyrimidine-Benzenesulfonamide Conjugates as Selective Carbonic Anhydrase II Inhibitors: Synthesis, in vitro Biological Evaluation, and Molecular Docking Studies Bioorganic & Medicinal Chemistry (2020) 115329 doi |
| VEGFR-2 inhibiting effect and molecular modeling of newly synthesized coumarin derivatives as anti-breast cancer agents Bioorganic & Medicinal Chemistry (2020) 115328 doi |
| Design, synthesis and evaluation of novel indirubin-based N-hydroxybenzamides, N-hydroxypropenamides and N-hydroxyheptanamides as histone deacetylase inhibitors and antitumor agents Bioorganic & Medicinal Chemistry Letters 30 (22) (2020) 127537 doi |
| Identification of Free Fatty Acid Receptor 2 Agonists Using Virtual Screening Bioorganic & Medicinal Chemistry Letters (2020) 127460 doi |
| Design and synthesis of peptidic partial agonists of human neuromedin U receptor 1 with enhanced serum stability Bioorganic & Medicinal Chemistry Letters (2020) 127436 doi |
| N-Sulfonyl Dipeptide Nitriles as Inhibitors of Human Cathepsin S: In silico Design, Synthesis and Biochemical Characterization Bioorganic & Medicinal Chemistry Letters (2020) 127420 doi |
| Structure-guided optimization of a novel class of ASK1 inhibitors with increased sp3 character and an exquisite selectivity profile Bioorganic & Medicinal Chemistry Letters (2020) 127405 doi |
| Discovery of attenuation effect of orexin 1 receptor to aversion of nalfurafine: Synthesis and evaluation of D-nor-nalfurafine derivatives and analyses of the three active conformations of nalfurafine Bioorganic & Medicinal Chemistry Letters (2020) 127360 doi |
| Quinazoline Based HSP90 Inhibitors: Synthesis, Modeling Study and ADME Calculations Towards Breast Cancer Targeting Bioorganic & Medicinal Chemistry Letters (2020) 127281 doi |
| An efficient synthetic approach toward a sporadic heterocyclic scaffold: 1,3-Oxathiol-2-ylidenes; alkaline phosphatase inhibition and molecular docking studies Bioorganic & Medicinal Chemistry Letters (2020) 127238 doi |
| New 8-amino-1,2,4-triazolo[4,3-a]pyrazin-3-one derivatives. Evaluation of different moieties on the 6-aryl ring to obtain potent and selective human A2A adenosine receptor antagonists Bioorganic & Medicinal Chemistry Letters (2020) 127126 doi |
| Study on structure-activity relationship of vitamin K derivatives: conversion of the naphthoquinone part into another aromatic ring and evaluation of their neuronal differentiation-inducing activity Bioorganic & Medicinal Chemistry Letters (2020) 127059 doi |
| A Novel Series of Cysteine-Dependent, Allosteric Inverse Agonists of the Nuclear Receptor RORγt Bioorganic & Medicinal Chemistry Letters (2020) 126967 doi |
| Insights into the synergistic mechanism of target resistance: A case study of N. lugens RDL-GABA receptors and fipronil Biophysical Chemistry (2020) 106426 doi |
| Gallotannins are uncompetitive inhibitors of pancreatic lipase activity Biophysical Chemistry (2020) 106409 doi |
| Physiological and morphological responses and tolerance mechanisms of Isochrysis galbana to Cr(VI) stress Bioresource Technology (2020) 122860 doi |
| In vitro and in silico antioxidant and antiproliferative activity of rhizospheric fungus Talaromyces purpureogenus isolate-ABRF2 Bioresources and Bioprocessing 7 (1) (2020) 14 doi |
| Docking Simulation and Sandwich Assay for Aptamer-Based Botulinum Neurotoxin Type C Detection Biosensors 10 (8) (2020) doi |
| High-performance FRET biosensors for single-cell and in vivo lead detection Biosensors and Bioelectronics 168 (2020) 112571 doi |
| Biochemical characterization and structural insights into the high substrate affinity of a dimeric and Ca2+ independent Bacillus subtilis α-amylase Biotechnology Progress n/a (n/a) (2020) e2964 doi |
| Biochemical characterization and structural insights into the high substrate affinity of a dimeric and Ca2+ independent Bacillus subtilis α-amylase Biotechnology Progress n/a (n/a) (2020) e2964 doi |
| Impact of enzymatic reduction on bivalent bispecific antibody fragmentation and loss of product purity upon reoxidation Biotechnology and Bioengineering n/a (n/a) (2020) doi |
| Platelet glycoprotein VI promotes metastasis through interaction with cancer cell-derived Galectin-3 Blood (2020) doi |
| Gilteritinib is a clinically active FLT3 inhibitor with broad activity against FLT3 kinase domain mutations Blood Advances 4 (3) (2020) 514-524 doi |
| Different molecular enumeration influences in deep learning: an example using aqueous solubility Briefings in Bioinformatics (2020) doi |
| Improving structure-based virtual screening performance via learning from scoring function components Briefings in Bioinformatics (2020) doi |
| Can machine learning consistently improve the scoring power of classical scoring functions? Insights into the role of machine learning in scoring functions Briefings in Bioinformatics (2020) doi |
| Current development of integrated web servers for preclinical safety and pharmacokinetics assessments in drug development Briefings in Bioinformatics (2020) doi |
| A systematic molecular and pharmacologic evaluation of AKT inhibitors reveals new insight into their biological activity British Journal of Cancer (2020) doi |
| Open-channel blocking action of volatile anesthetics desflurane and sevoflurane on human voltage-gated Kv1.5 channel British Journal of Pharmacology n/a (n/a) (2020) doi |
| Identification of endogenous 1-aminopyrene as a novel mediator of progressive chronic kidney disease via aryl hydrocarbon receptor activation British Journal of Pharmacology n/a (n/a) (2020) doi |
| Ab initio fragment molecular orbital-based molecular dynamics (FMO-MD) simulations of (NH3)32 cluster: effects of electron correlation Bulletin of the Chemical Society of Japan (2020) doi |
| The Serendipitous Discovery of a Rose Odorant CHIMIA International Journal for Chemistry 74 (2020) 247-251 doi |
| Assessing the Feasibility and Stability of Uracil Base Flipping in RNA-Small Molecule Complexes Using Molecular Dynamics Simulations Canadian Journal of Chemistry (2020) doi |
| Downregulation of SNRPG induces cell cycle arrest and sensitizes human glioblastoma cells to temozolomide by Cancer Biol Med (2020) doi |
| Metabolism and pharmacokinetics characterization of metarrestin in multiple species Cancer Chemotherapy and Pharmacology (2020) doi |
| Combined Methylome and Transcriptome Analyses Reveals Potential Therapeutic Targets for EGFR Wild Type Lung Cancers with Low PD-L1 Expression Cancers 12 (9) (2020) doi |
| Focal drug administration via heparin-containing cryogel microcarriers reduces cancer growth and metastasis Carbohydrate Polymers (2020) 116504 doi |
| Simultaneous Control of Endogenous and User-Defined Genetic Pathways Using Unique ecDHFR Pharmacological Chaperones Cell Chemical Biology (2020) doi |
| Repositioning liothyronine for cancer immunotherapy by blocking the interaction of immune checkpoint TIGIT/PVR Cell Communication and Signaling 18 (1) (2020) 142 doi |
| A tumor-specific modulation of heterogeneous ribonucleoprotein A0 promotes excessive mitosis and growth in colorectal cancer cells Cell Death & Disease 11 (4) (2020) 245 doi |
| TNFAIP8 regulates autophagy, cell steatosis, and promotes hepatocellular carcinoma cell proliferation Cell Death & Disease 11 (3) (2020) 178 doi |
| Phenotypic high-throughput screening platform identifies novel chemotypes for necroptosis inhibition Cell Death Discovery 6 (1) (2020) 6 doi |
| Structural Analysis of Rabies Virus Glycoprotein Reveals pH-Dependent Conformational Changes and Interactions with a Neutralizing Antibody Cell Host & Microbe (2020) doi |
| Structural and Mechanistic Regulation of the Pro-degenerative NAD Hydrolase SARM1 Cell Reports 32 (5) (2020) 107999 doi |
| Landscape of Non-canonical Cysteines in Human VH Repertoire Revealed by Immunogenetic Analysis Cell Reports 31 (13) (2020) 107831 doi |
| Identification of a G-Protein-Independent Activator of GIRK Channels Cell Reports 31 (11) (2020) 107770 doi |
| A Novel Small-Molecule Inhibitor of Endosomal TLRs Reduces Inflammation and Alleviates Autoimmune Disease Symptoms in Murine Models Cells 9 (7) (2020) doi |
| Charcot-Marie-Tooth Type 2B: A New Phenotype Associated with a Novel RAB7A Mutation and Inhibited EGFR Degradation Cells 9 (4) (2020) doi |
| Discovery of 3,5-Dimethylpyridin-4(1H)-one Derivatives as Activators of AMP-Activated Protein Kinase (AMPK) Chem. Pharm. Bull. 68 (2020) 77-90 doi |
| Riboflavin Is Directly Involved in the N-Dealkylation Catalyzed by Bacterial Cytochrome P450 Monooxygenases ChemBioChem n/a (n/a) (2020) doi |
| A modified Arrhenius approach to thermodynamically study regioselectivity in Cytochrome P450 catalyzed substrate conversion ChemBioChem n/a (n/a) (2020) doi |
| Identification of 1-phenyl-4-cyano-5-aminopyrazoles as novel ecdysone agonists by virtual screening, structural optimization, and biological evaluations Chemical Biology & Drug Design n/a (n/a) (2020) doi |
| Structure-Based Non-Nucleoside Inhibitor Design: Developing Inhibitors that Are Effective Against Resistant Mutants Chemical Biology & Drug Design n/a (n/a) (2020) doi |
| Applications of machine learning methods for the discovery of NDM-1 inhibitors Chemical Biology & Drug Design n/a (n/a) (2020) doi |
| Water envelope has a critical impact on the design of protein–protein interaction inhibitors Chemical Communications (2020) doi |
| Synthesis, in vitro alpha glucosidase, urease activities and molecular docking study of bis-indole bearing Schiff base analogs Chemical Data Collections (2020) 100396 doi |
| Engineered Saccharomyces cerevisiae for the De Novo Synthesis of the Aroma Compound Longifolene Chemical Engineering Science (2020) 115799 doi |
| Machine learning prediction of inter-fragment interaction energies between ligand and amino-acid residues on the fragment molecular orbital calculations for Janus kinase Chemical Physics Letters (2020) 137883 doi |
| Probing Host-Guest Inclusion Complexes of Ambroxol Hydrochloride with α- & β-Cyclodextrins by Physicochemical Contrivance Subsequently Optimized by Molecular Modeling Simulations Chemical Physics Letters (2020) 137372 doi |
| Molecular dynamics and in vitro quantification of safrole DNA adducts reveal DNA adduct persistence due to limited DNA distortion resulting in inefficient repair Chemical Research in Toxicology (2020) doi |
| GLORYx: Prediction of the Metabolites Resulting from Phase 1 and Phase 2 Biotransformations of Xenobiotics Chemical Research in Toxicology (2020) doi |
| Interactions of Perfluorooctanesulfonate and 6:2 Chlorinated Polyfluorinated Ether Sulfonate with Human Serum Albumin: A Comparative Study Chemical Research in Toxicology (2020) doi |
| Risk Prediction Method for Anticholinergic Action Using Auto-quantitative Structure–Activity Relationship and Docking Study with Molecular Operating Environment Chemical and Pharmaceutical Bulletin 68 (8) (2020) 773-778 doi |
| Multifunctional memantine nitrate significantly protects against glutamate-induced excitotoxicity via inhibiting calcium influx and attenuating PI3K/Akt/GSK3beta pathway Chemico-Biological Interactions (2020) 109020 |
| Novel N-Acyl-1H-imidazole-1-carbothioamides: Design, Synthesis, Biological and Computational studies Chemistry & Biodiversity n/a (n/a) (2020) doi |
| New Acetohydrazides Incorporating 2-Oxoindoline and 4-Oxoquinazoline: Synthesis and Evaluation of Cytotoxicity and Caspase Activation Activity Chemistry & Biodiversity n/a (n/a) (2020) doi |
| Solution conformations explain the chameleonic behaviour of macrocyclic drugs Chemistry – A European Journal n/a (n/a) (2020) doi |
| The crucial role of metabolic regulation in differential hepatotoxicity induced by furanoids in Dioscorea bulbifera Chinese Journal of Natural Medicines 18 (1) (2020) 57-69 doi |
| Development of simultaneous interaction prediction approach (SiPA) for the expansion of interaction network of traditional Chinese medicine Chinese Medicine 15 (1) (2020) 90 doi |
| Potential mechanism prediction of Cold-Damp Plague Formula against COVID-19 via network pharmacology analysis and molecular docking Chinese Medicine 15 (1) (2020) 78 doi |
| A novel COQ8A missense variant associated with a mild form of primary coenzyme Q10 deficiency type 4 Clinical Biochemistry (2020) doi |
| N-Myristoyl Transferase Inhibitors with Antifungal Activity in Quinolinequinone Series: Synthesis, In-silico Evaluation and Biological Assay Communication in Physical Sciences 5 (4) (2020) 431-436 |
| Structural, Antimicrobial and in Silico Studies of Some Schiff Bases of Trans-paramethoxycinnamaldehyde Derivatives Communication in Physical Sciences 5 (2020) 544-566 |
| Synaptamide activates the adhesion GPCR GPR110 (ADGRF1) through GAIN domain binding Communications Biology 3 (1) (2020) 109 doi |
| The orphan nuclear receptor Nurr1 is responsive to non-steroidal anti-inflammatory drugs Communications Chemistry 3 (1) (2020) 85 doi |
| A small-molecule inhibitor of lectin-like oxidized LDL receptor-1 acts by stabilizing an inactive receptor tetramer state Communications Chemistry 3 (1) (2020) 75 doi |
| Repurposing approved Drugs as potential Inhibitors of 3CL-protease of SARS-CoV-2: Virtual screening and Structure Based Drug Design Computational Biology and Chemistry (2020) 107351 doi |
| Insight into the Structures of Interleukin-18 Systems Computational Biology and Chemistry (2020) 107353 doi |
| Structure-Based Virtual Screening of Dipeptidyl Peptidase 4 Inhibitors and their In vitro Analysis Computational Biology and Chemistry (2020) 107326 doi |
| hERG-Att: Self-Attention-Based Deep Neural Network for Predicting hERG Blockers Computational Biology and Chemistry (2020) 107286 |
| Theoretical Study of Copper binding to GHK peptide Computational Biology and Chemistry (2020) 107265 doi |
| Computational Investigation of the Interaction of Anti-Influenza Drugs with CoVID-19 Protein Computational Molecular Bioscience 10 (2020) 45-60 doi |
| Structural Insights into the mechanism of RNA recognition by the N-terminal RNA-binding domain of the SARS-CoV-2 nucleocapsid phosphoprotein Computational and Structural Biotechnology Journal (2020) doi |
| Molecular modelling analysis of T219A mutant Envelop protein revealed novel virulence enhancing factors in Dengue virus isolated from Kerala state, India Computer Methods and Programs in Biomedicine (2020) 105481 doi |
| Repurposing of Auranofin Against Bacterial Infections: An In-silico and In-vitro Study Current Computer-Aided Drug Design 16 (2020) 1-15 doi |
| Molecular docking and in-vitro analysis of Fagonia cretica and Berberis lyceum extract against Brucella melitensis Current computer-aided drug design (2020) doi |
| d-orbital energy levels in planar [MIIF4]2−, [MII(NH3)4]2+ and [MII(CN)4]2− complexes: the nature of M–L π bonding and the implications for ligand field theory Dalton Transactions (2020) doi |
| Molecular characterization and expression analysis of the chicken-type and goose-type lysozymes from totoaba (Totoaba macdonaldi) Developmental & Comparative Immunology (2020) 103807 doi |
| Selenium overexposure induces insulin resistance: In silico study Diabetes & Metabolic Syndrome: Clinical Research & Reviews (2020) doi |
| Design, Synthesis and Biological Evaluation of New HDAC1 and HDAC2 Inhibitors Endowed with Ligustrazine as a Novel Cap Moiety Drug Des Devel Ther. 14 (2020) 497-508 doi |
| Suppression of Cisplatin-Induced Hepatic Injury in Rats Through Alarmin High-Mobility Group Box-1 Pathway by Ganoderma lucidum: Theoretical and Experimental Study Drug Design Development and Therapy 14 (2020) 2335-2353 doi |
| Network Pharmacology-Based Prediction and Verification of the Active Ingredients and Potential Targets of Zuojinwan for Treating Colorectal Cancer Drug Design, Development & Therapy 14 (2020) 2725-2740 doi |
| Comparative Cholinesterase, α-Glucosidase Inhibitory, Antioxidant, Molecular Docking, and Kinetic Studies on Potent Succinimide Derivatives Drug Design, Development and Therapy 14 (2020) 2165-2178 doi |
| Advancing computer-aided drug discovery (CADD) by big data and data-driven machine learning modeling Drug Discovery Today (2020) doi |
| The rise of molecular simulations in fragment-based drug design (FBDD): an overview Drug Discovery Today (2020) doi |
| Canagliflozin impairs blood reperfusion of ischaemic lower limb partially by inhibiting the retention and paracrine function of bone marrow derived mesenchymal stem cells EBioMedicine 52 (2020) 102637 doi |
| In vivo and in vitro studies on inactivation of selenium containing protein- glutathione peroxidase 3 in mice nephrocytes caused by lead Ecotoxicology and Environmental Safety 203 (2020) 111008 doi |
| Toxicity assessment of Fluoranthene, Benz(a)anthracene and its mixed pollution in soil: Studies at the molecular and animal levels Ecotoxicology and Environmental Safety 202 (2020) 110864 doi |
| The AHR1-ARNT1 dimerization pair is a major regulator of the response to natural ligands, but not to TCDD, in the chicken Ecotoxicology and Environmental Safety 201 (2020) 110835 doi |
| In vitro toxicity and molecular interacting mechanisms of chloroacetic acid to catalase Ecotoxicology and Environmental Safety 189 (2020) 109981 doi |
| Investigating the OECD database of per- and polyfluoroalkyl substances – chemical variation and applicability of current fate models Environmental Chemistry (2020) doi |
| Enantioselectivity in transplacental transfer of perfluoro-1-methylheptanesulfonate (1m-PFOS): Human biomonitoring and in silico study Environmental Pollution 261 (2020) 114136 doi |
| Tris(1,3-dichloro-2-propyl) Phosphate reduces lifespan via activation of an unconventional Insulin/Insulin-like Growth Factor-1 Signaling Pathway Environmental Science & Technology (2020) doi |
| Studies of Emission Processes of Polymer Additives into Water using Quartz Crystal Microbalance – a Case Study on Organophosphate Esters Environmental Science & Technology (2020) doi |
| Systematic Degradation Mechanism and Pathways Analysis of the Immobilized Bacteria: Permeability and Biodegradation, Kinetic and Molecular Simulation Environmental Science and Ecotechnology (2020) 100028 doi |
| Anthracene-induced DNA damage and oxidative stress: a combined study at molecular and cellular levels Environmental Science and Pollution Research (2020) doi |
| Influence of metallic species for efficient photocatalytic water disinfection: bactericidal mechanism of in vitro results using docking simulation Environmental Science and Pollution Research (2020) doi |
| γ-Glutamyltranspeptidase from Bacillus amyloliquefaciens: transpeptidation activity enhancement and L-theanine production Enzyme and Microbial Technology (2020) 109644 doi |
| A severe case of status dystonicus caused by a de novo KMT2B missense mutation European Journal of Medical Genetics (2020) 104057 doi |
| Preparation and mechanistic studies of 2-substituted Bisthiazolidines by imine exchange European Journal of Organic Chemistry n/a (n/a) (2020) doi |
| Permuted 2,4-thiazolidinedione (TZD) analogs as GLUT inhibitors and their in-vitro evaluation in leukemic cells European Journal of Pharmaceutical Sciences (2020) 105512 doi |
| Identification of novel Epac2 antagonists through in silico and in vitro analyses European Journal of Pharmaceutical Sciences (2020) 105492 doi |
| Design and Synthesis of New Drugs Inhibitors of Candida albicans Hyphae and Biofilm Formation by Upregulating the Expression of TUP1 Transcription Repressor Gene European Journal of Pharmaceutical Sciences (2020) 105327 doi |
| Discovery of a novel small molecule PT109 with multi-targeted effects against Alzheimer's disease in vitro and in vivo European Journal of Pharmacology (2020) 173361 doi |
| Jujuboside B promotes the death of acute leukemia cell in a RIPK1/RIPK3/MLKL pathway-dependent manner European Journal of Pharmacology 876 (2020) 173041 doi |
| Arctiin protects rat heart against ischemia/reperfusion injury via a mechanism involving reduction of necroptosis European Journal of Pharmacology 875 (2020) 173053 doi |
| 6-Methoxyflavanone abates cisplatin-induced neuropathic pain apropos anti-inflammatory mechanisms: A behavioral and molecular simulation study European Journal of Pharmacology 872 (2020) 172972 doi |
| Discovery of a novel niacin-lipoic acid dimer N2L attenuating atherosclerosis and dyslipidemia with non-flushing effects European Journal of Pharmacology 868 (2020) 172871 doi |
| A novel orexin antagonist from a natural plant was discovered using zebrafish behavioural analysis European Review for Medical and Pharmacological Sciences 24 (2020) 5127-5139 |
| The potential of Allium sativum and Cannabis sativa extracts for anti-tick activities against Rhipicephalus (Boophilus) microplus Experimental and Applied Acarology (2020) doi |
| Small molecule glucagon receptor antagonists: an updated patent review (2015–2019) Expert Opinion on Therapeutic Patents (2020) 1-18 doi |
| Acylphloroglucinol and tocotrienol derivatives from the fruits of Garcinia paucinervis Fitoterapia (2020) 104688 doi |
| Kinetic, spectroscopic, and molecular docking studies on the inhibition of membrane-bound polyphenol oxidase from Granny Smith apples (Malus domestica Borkh.) Food Chemistry (2020) 127928 doi |
| Acid vacuolar invertase 1 (PbrAc-Inv1) and invertase inhibitor 5 (PbrII5) were involved in sucrose hydrolysis during postharvest pear storage Food Chemistry 320 (2020) 126635 doi |
| Kinetic interactions of nanocomplexes between astaxanthin esters with different molecular structures and β-lactoglobulin Food Chemistry (2020) 127633 doi |
| A deep insight into mechanism for inclusion of 2R,3R-dihydromyricetin with cyclodextrins and the effect of complexation on antioxidant and lipid-lowering activities Food Hydrocolloids 103 (2020) 105718 doi |
| Development of an adverse outcome pathway for cranio-facial malformations: A contribution from in silico simulations and in vitro data Food and Chemical Toxicology (2020) 111303 doi |
| Ectopic suicide inhibition of thioredoxin glutathione reductase Free Radical Biology and Medicine 147 (2020) 200-211 doi |
| Sirtuin 1 Inhibiting Thiocyanates (S1th)—A New Class of Isotype Selective Inhibitors of NAD+ Dependent Lysine Deacetylases Frontiers in Oncology 10 (2020) 657 doi |
| In silico Docking Studies of Fingolimod and S1P1 Agonists Frontiers in Pharmacology 11 (2020) 247 doi |
| Novel Histone Deacetylase Inhibitors and HIV-1 Latency-Reversing Agents Identified by Large-Scale Virtual Screening Frontiers in Pharmacology 11 (2020) 905 doi |
| Biological Properties and Absolute Configuration of Flavanones From Calceolaria thyrsiflora Graham Frontiers in Pharmacology 11 (2020) 1125 doi |
| Rhein Derivative 4F Inhibits the Malignant Phenotype of Breast Cancer by Downregulating Rac1 Protein Frontiers in pharmacology 11 (2020) 754-754 doi |
| Synthesis, antidiabetic, antioxidant and anti-inflammatory activities of novel hydroxytriazenes based on sulpha drugs Heliyon 6 (8) (2020) e04787 doi |
| Hydrophobic interactions at subsite S1′ of human dipeptidyl peptidase IV contribute significantly to the inhibitory effect of tripeptides Heliyon 6 (6) (2020) e04227 doi |
| New thiazole, pyridine and pyrazole derivatives as antioxidant candidates: synthesis, DFT calculations and molecular docking study Heliyon 6 (1) (2020) e03185 doi |
| Molecular dynamics simulations of copper binding to amyloid-β Glu22 mutants Heliyon 6 (1) (2020) e03071 doi |
| Structural and molecular analyses of functional epitopes and escape mutants in Japanese encephalitis virus envelope protein domain III Immunologic Research (2020) doi |
| Characterising the original anti-C5 function-blocking antibody, BB5.1, for species specificity, mode of action and interactions with C5 Immunology n/a (n/a) (2020) doi |
| 2,4-Dichlorophenoxy Acetic Acid as an Antidiabetic Drug: In silico, Preformulation and in vivo Approaches Indian Journal of Pharmaceutical Education and Research 54 (2020) s79-s87 doi |
| Antidiabetic functionality of Vitex negundo L. leaves based on UHPLC-QTOF-MS/MS based bioactives profiling and molecular docking insights Industrial Crops and Products 152 (2020) 112445 doi |
| Appraisal of disease-modifying potential of amlodipine as an anti-arthritic agent: new indication for an old drug Inflammopharmacology (2020) doi |
| Structural prediction and analysis of the highly reactive alkaline phosphatase from Shewanella sp. T3-3 Int J Anal Bio-Sci 8 (2020) 39-43 |
| Anti-Inflammatory Potential of Green Synthesized Silver Nanoparticles of the Soft Coral Nephthea Sp. Supported by Metabolomics Analysis and Docking Studies Int. J. Nanomedicine 15 (2020) 5345-5360 doi |
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| Structural modification of a novel inhibitor for mycobacterium enoyl-acyl carrier protein reductase assisted by In silico structure-based drug screening International Journal of Mycobacteriology 9 (1) (2020) 12-17 doi |
| In Silico Evaluation of Food Derived Bioactive Peptides as Inhibitors of Angiotensin Converting Enzyme (ACE) International Journal of Peptide Research and Therapeutics (2020) doi |
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| Formulation of co-amorphous systems from naproxen and naproxen sodium and in situ monitoring of physicochemical state changes during dissolution testing by Raman spectroscopy International Journal of Pharmaceutics 587 (2020) 119662 doi |
| Effect of sodium deoxycholate sulfate on outer membrane permeability and neutralization of bacterial lipopolysaccharides by polymyxin B formulations International Journal of Pharmaceutics 581 (2020) 119265 doi |
| Towards an Improved Understanding of Drug Excipient Interactions to Enable Rapid Optimization of Nanosuspension Formulations International Journal of Pharmaceutics (2020) 119094 doi |
| Identification of the Binding Interaction of Anti-tuberculous Drugs with Human Serum Albumin: A Computational Molecular Docking, Fluorescence and Absorption Spectroscopy Study International Journal of Pharmaceutical Quality Assurance 11 (2020) 1-14 doi |
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| Synthesis, structure, biological/chemosensor evaluation and molecular docking studies of aminobenzothiazole Schiff bases Journal of Adhesion Science and Technology (2020) 1-23 doi |
| Development of a novel thymidylate synthase (TS) inhibitor capable of up-regulating P53 expression and inhibiting angiogenesis in NSCLC Journal of Advanced Research (2020) doi |
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| Molecular docking studies and in vitro degradation of four aflatoxins (AFB1, AFB2, AFG1, and AFG2) by a recombinant laccase from Saccharomyces cerevisiae Journal of Food Science n/a (n/a) (2020) doi |
| VIRTUAL SCREENING OF TRIAZOLES INHIBITORS OF 11Β-HYDROXYSTEROID DEHYDROGENASE ENZYMES USING -ADME - MOLECULAR DOCKING, AND MOLECULAR DYNAMICS SIMULATION STUDIES Journal of Fundamental and Applied Sciences 12 (2020) 712-727 doi |
| Evaluation of response of dynamics change in bioaugmentation process in diesel-polluted seawater via high-throughput sequencing: Degradation characteristic, community structure, functional genes Journal of Hazardous Materials (2020) 123569 doi |
| Prioritizing Phthalate Esters (PAEs) using experimental in vitro/vivo toxicity assays and computational in silico approaches Journal of Hazardous Materials (2020) 122851 doi |
| Cytotoxicity of perfluorodecanoic acid on mouse primary nephrocytes through oxidative stress: Combined analysis at cellular and molecular levels Journal of Hazardous Materials (2020) 122444 doi |
| Synthesis, anticancer screening, and in silico ADME prediction of novel 2-pyridones as Pim inhibitors Journal of Heterocyclic Chemistry n/a (n/a) (2020) doi |
| Synthesis and antitumor activity of some nitrogen heterocycles bearing pyrimidine moiety Journal of Heterocyclic Chemistry n/a (n/a) (2020) doi |
| Cytotoxicity, tyrosine kinase inhibition of novel pyran, pyridine, thiophene, and imidazole derivatives Journal of Heterocyclic Chemistry n/a (n/a) (2020) doi |
| Synthesis of various fused heterocyclic rings from thiazolopyridine and their pharmacological and antimicrobial evaluations Journal of Heterocyclic Chemistry n/a (n/a) (2020) doi |
| Preparation of some novel thiazolidinones, imidazolinones, and azetidinone bearing pyridine and pyrimidine moieties with antimicrobial activity Journal of Heterocyclic Chemistry n/a (n/a) (2020) doi |
| New fused pyrazolopyrimidine derivatives; heterocyclic styling, synthesis, molecular docking and anticancer evaluation Journal of Heterocyclic Chemistry n/a (n/a) (2020) doi |
| Synthesis, anticancer, and computational studies of 1, 3, 4-oxadiazole-purine derivatives Journal of Heterocyclic Chemistry n/a (n/a) (2020) doi |
| New furochromone derivatives as promising in-vitro anti-proliferative agents toward HepG-2 and MCF-7 cell lines with molecular docking studies Journal of Heterocyclic Chemistry n/a (n/a) (2020) doi |
| Synthesis of novel bis- and poly(benzimidazoles) as well as bis- and poly(benzothiazoles) as anticancer agents Journal of Heterocyclic Chemistry n/a (n/a) (2020) doi |
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| Eco-friendly synthesis of novel pyrimidine derivatives as potential anticancer agents Journal of Heterocyclic Chemistry n/a (n/a) (2020) doi |
| Construction of hybrid DNAs@CP for the rapid synchronous sensing of multiplex microRNAs based on experimental studies and molecular simulation Journal of Inorganic Biochemistry (2020) 111076 doi |
| User guide for the discovery of potential drugs via protein structure prediction and ligand docking simulation Journal of Microbiology 58 (3) (2020) 235-244 doi |
| Ligand-Profile Based Virtual Screening of Human GPCRs Journal of Molecular Biology (2020) doi |
| A structural basis for restricted codon recognition mediated by 2-thiocytidine in tRNA containing a wobble position inosine Journal of Molecular Biology (2020) doi |
| Practical and computational studies on novel Schiff base complexes derived from green synthesis approach: Conductometry as well as in-vitro screening supported by in-silico study Journal of Molecular Liquids (2020) 114116 doi |
| Investigating the potential antiviral activity drugs against SARS-CoV-2 by molecular docking simulation Journal of Molecular Liquids (2020) 113968 doi |
| The electrochemical properties and PIM1 kinase enzyme inhibition of some 2-(hydroxy phenyl amino) naphthalene-1,4-dione derivatives Journal of Molecular Liquids (2020) 112874 doi |
| Antiangiogenic effects of AG36, a triterpenoid saponin from Ardisia gigantifolia stapf Journal of Natural Medicines (2020) doi |
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| Hydroxylated Rotenoids Selectively Inhibit the Proliferation of Prostate Cancer Cells Journal of Natural Products (2020) doi |
| Anti-inflammatory Efficacy of Combined Natural Alkaloid Berberine and S1PR Modulator Fingolimod at Low Doses in Ulcerative Colitis Preclinical Models Journal of Natural Products (2020) doi |
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| Talauxins: Hybrid Phenalenone Dimers from Talaromyces stipitatus Journal of Natural Products (2020) doi |
| l-Phenylalanine Alters the Privileged Secondary Metabolite Production in the Marine-Derived Fungus Trichoderma erinaceum F1-1 Journal of Natural Products (2020) doi |
| Cocktail Shaker: An open source drug expansion and enumeration library for peptides Journal of Open Source Software 5 (2020) 1992 doi |
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| Identification of the Binding Interaction of Anti-TB drugs with Human Serum Albumin: A Computational Molecular Docking, Fluorescence and Absorption Spectroscopy Study Journal of Pharmaceutical Quality Assurance 11 (2020) doi |
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| Combination of HDX-MS and in silico modeling to study enzymatic reactivity and stereo-selectivity at different solvent conditions Journal of Pharmaceutical and Biomedical Analysis (2020) 113141 doi |
| Development of a Gaussian Process – feature selection model to characterise (poly)dimethylsiloxane (Silastic®) membrane permeation Journal of Pharmacy and Pharmacology n/a (n/a) (2020) doi |
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| In Silico Drug Repurposing for SARS-CoV-2 Main Proteinase and Spike Proteins Journal of Proteome Research (2020) doi |
| In silico Study of Pharmacological Treatments against SARS-CoV2 Main Protease Journal of Pure and Applied Microbiology 14 (2020) 1065-1071 doi |
| Optimization and tissue distribution of [125I]iododomperidone as a radiotracer for D2-receptor imaging Journal of Radioanalytical and Nuclear Chemistry (2020) doi |
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| Molecular assemblies built with the artificial protein Pizza Journal of Structural Biology: X (2020) 100027 doi |
| Nonionic Isatin Surfactants: Synthesis, Quantum Chemical Calculations, ADMET and Their Antimicrobial Activities Journal of Surfactants and Detergents n/a (n/a) (2020) doi |
| Identification of the multiple bioactive derivatives and their endogenous molecular targets that may mediate the laxative effect of rhubarb in rats Journal of Traditional Chinese Medical Sciences (2020) doi |
| Analysis of SARS-CoV-2 RNA-dependent RNA polymerase as a potential therapeutic drug target using a computational approach Journal of Translational Medicine 18 (1) (2020) 275 doi |
| A Bioorthogonal Small Molecule Selective Polymeric “Clickase” Journal of the American Chemical Society (2020) doi |
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| Water-soluble Cu(II)-complexes of Schiff base amino acid derivatives as biological reagents and sufficient catalysts for oxidation reactions Journal of the Taiwan Institute of Chemical Engineers (2020) 3499 doi |
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| Production of TRPV2-targeting functional antibody ameliorating dilated cardiomyopathy and muscular dystrophy in animal models Laboratory Investigation (2020) doi |
| In Silico Elucidation of the Molecular Recognition of Phenol Derivative Compounds and Hippuryl-histidyl-leucine as an Artificial Substrate with the Experimental Target: Angiotensin-converting Enzyme Letters in Drug Design & Discovery 17 (4) (2020) 445-466 doi |
| Enhancing insulin sensitivity by dual PPARγ partial agonist, β-catenin inhibitor: Design, synthesis of new αphthalimido-o-toluoyl2-aminothiazole hybrids Life Sciences (2020) 118270 doi |
| Modulation of endoplasmic reticulum stress response in gut-origin encephalopathy: Impact of vascular endothelial growth factor receptor-2 manipulation Life Sciences (2020) 117654 doi |
| Design and synthesis of N‑(benzylpiperidinyl)‑4‑fluorobenzamide: A haloperidol analog that reduces neuropathic nociception via σ1 receptor antagonism Life Sciences (2020) 117348 doi |
| 15-LOX Inhibitors: Biochemical Evaluation of Flurbiprofen and its Derivatives Life and Science 1 (2020) 92-97 doi |
| Synthesis, anticancer activity and β-lactoglobulin binding interactions of multi-targeted kinase inhibitor sorafenib tosylate (SORt) by spectroscopic and molecular modeling approaches Luminescence n/a (n/a) (2020) doi |
| Unexpected Enhancement of HDACs Inhibition by MeS Substitution at C-2 Position of Fluoro Largazole Marine Drugs 18 (7) (2020) doi |
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| New Cytotoxic Natural Products from the Red Sea Sponge Stylissa carteri Marine Drugs 18 (5) (2020) doi |
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| Synthesis, DFT calculation, DNA-binding, antimicrobial, cytotoxic and molecular docking studies on new complexes VO(II), Fe(III), Co(II), Ni(II) and Cu(II) of pyridine Schiff base ligand Materials Research Express (2020) doi |
| Isocyanate-terminated urethane-based methacrylate for in situ collagen scaffold modification Materials Science and Engineering: C (2020) 110902 doi |
| Anti-urease and cytotoxic activity of 1-Nitro-2-phenylethane and Nerolidol; two major compounds isolated from the seeds of Dennettia tripetala Medicinal Chemistry Research (2020) doi |
| A new pimarane-type diterpene obtained by biotransformation inhibits human HCT-116 colorectal carcinoma through inhibition of LTA4H activity Medicinal Chemistry Research (2020) doi |
| Discovery of anti-influenza nucleoside triphosphates targeting the catalytic site of A/PR/8/34/H1N1 polymerase Medicinal Chemistry Research (2020) 1-15 doi |
| The fine art of preparing membrane transport proteins for biomolecular simulations: concepts and practical considerations Methods (2020) doi |
| Antibacterial and anti-quorum sensing activities of a substituted thiazole derivative against methicillin-resistant Staphylococcus aureus and other multidrug-resistant bacteria Microbial Pathogenesis (2020) 104500 doi |
| A computational subtractive genome analysis for the characterization of novel drug targets in Klebsiella pneumonia strain PittNDM01 Microbial Pathogenesis 146 (2020) 104245 doi |
| Studies on effects of Umbelliferon derivatives against periodontal bacteria; antibiofilm, inhibition of quorum sensing and molecular docking analysis Microbial Pathogenesis (2020) 104184 doi |
| Molecular docking of different ionophores host-guest inclusion complexes for electrochemical determination of solifenacin succinate in pure and pharmaceutical dosage form: Computer aided design Microchemical Journal 159 (2020) 105363 doi |
| Experimental and theoretical study for miR-155 detection through resveratrol interaction with nucleic acids using magnetic core-shell nanoparticles Microchimica Acta 187 (8) (2020) 479 doi |
| Synthesis, Cytotoxicity and Molecular Docking Simulation of Novel bis-1,4-Dihydropyridines Linked to Aliphatic or Arene Core via Amide or Ester-Amide Linkages Mini Reviews in Medicinal Chemistry 20 (9) (2020) 801-816 doi |
| Biophysical classification of a CACNA1D de novo mutation as a high-risk mutation for a severe neurodevelopmental disorder Molecular Autism 11 (1) (2020) 4 doi |
| Structural and Functional Analysis of Pullulanase Type 1 (PulA) from Geobacillus thermopakistaniensis Molecular Biotechnology (2020) doi |
| Long noncoding RNA ZFAS1 promoting small nucleolar RNA-mediated 2′-O-methylation via NOP58 recruitment in colorectal cancer Molecular Cancer 19 (1) (2020) 95 doi |
| New mechanistic insights into the reversible aldol reaction catalysed by Rhamnulose-1-phosphate aldolase from Escherichia coli Molecular Catalysis 495 (2020) 111131 doi |
| Unravelling the anticancer potency of 1,2,4-triazole-N-arylamide hybrids through inhibition of STAT3: synthesis and in silico mechanistic studies Molecular Diversity (2020) doi |
| Synthesis, characterization, antimicrobial, antioxidant and computational evaluation of N-acyl-morpholine-4-carbothioamides Molecular Diversity (2020) doi |
| Prediction model of human ABCC2/MRP2 efflux pump inhibitors: a QSAR study Molecular Diversity (2020) doi |
| Genome-wide pathogenesis interpretation using a heat diffusion-based systems genetics method and implications for gene function annotation Molecular Genetics & Genomic Medicine n/a (n/a) (2020) e1456 doi |
| Identification of immunogenic T-cell peptides of Mycobacterium tuberculosis PE_PGRS33 protein Molecular Immunology 125 (2020) 123-130 doi |
| Applications of the Pharmacophore Concept in Natural Product inspired Drug Design Molecular Informatics n/a (n/a) (2020) doi |
| D-Peptide Builder: A Web Service to Enumerate, Analyze, and Visualize the Chemical Space of Combinatorial Peptide Libraries Molecular Informatics n/a (n/a) (2020) doi |
| PyRod Enables Rational Homology Model-Based Virtual Screening Against MCHR1 Molecular Informatics n/a (n/a) (2020) doi |
| From SAR Diagnostics to Compound Design: Development Chronology of the Compound Optimization Monitor (COMO) Method Molecular Informatics n/a (n/a) (2020) doi |
| Using machine learning methods and structural alerts for prediction of mitochondrial toxicity Molecular Informatics n/a (n/a) (2020) doi |
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| A facile synthesis, drug-likeness, and in silico molecular docking of certain new azidosulfonamide–chalcones and their in vitro antimicrobial activity Monatshefte für Chemie 151 (3) (2020) 417-427 doi |
| Computational design and clinical demonstration of a copper nanocluster based universal immunosensor for sensitive diagnostics Nanoscale Advances (2020) doi |
| Bi-metallic Ag/Cu incorporated into chemically exfoliated MoS2 nanosheets to enhance antibacterial potential: insilico molecular docking studies Nanotechnology (2020) doi |
| New prenylated flavonoid and neuroprotective compounds from Tephrosia purpurea subsp. dunensis Natural Product Research (2020) 1-9 doi |
| Anti-inflammatory effect of methoxyflavonoids from Chiliadenus montanus (Jasonia Montana) growing in Egypt Natural Product Research (2020) 1-5 doi |
| Molecular docking suggests repurposing of brincidofovir as a potential drug targeting SARS-CoV-2 ACE2 receptor and main protease Network Modeling Analysis in Health Informatics and Bioinformatics 9 (1) (2020) 56 doi |
| Highly efficient synthesis and monoamine oxidase B inhibitory profile of demethyleneberberine, columbamine and palmatine Neurochemistry International (2020) 104807 doi |
| Tetradecyl 2,3-dihydroxybenzoate alleviates oligodendrocyte damage following chronic cerebral hypoperfusion through IGF-1 receptor Neurochemistry International (2020) 104749 doi |
| A novel SEMA3G mutation in two siblings affected by syndromic GnRH deficiency Neuroendocrinology (2020) doi |
| Design, Synthesis, and Biological Evaluation of Novel Nicotinamide Derivatives as Potential Histone Deacetylase-3 Inhibitors New Journal of Chemistry (2020) doi |
| CK2 inhibition, lipophilicity and anticancer activity of new N1 versus N2-substituted tetrabromobenzotriazole regioisomers New Journal of Chemistry (2020) doi |
| Molecular Modelling of Mebendazole Polymorphs as a Potential Colchicine Binding Site Inhibitor New Journal of Chemistry (2020) doi |
| Radiolabeling, docking studies, in silico ADME and biological evaluation of serotonin with 125I for 5-HTRs imaging Nuclear Science and Techniques 31 (8) (2020) 80 doi |
| Regulation of MALAT1 triple helix stability and in vitro degradation by diphenylfurans Nucleic Acids Research (2020) doi |
| DNA backbone interactions impact the sequence specificity of DNA sulfur-binding domains: revelations from structural analyses Nucleic Acids Research (2020) doi |
| A crucial RNA-binding lysine residue in the Nab3 RRM domain undergoes SET1 and SET3-responsive methylation Nucleic Acids Research (2020) doi |
| Olax Imbricata-Derived Compounds with α-Glucosidase Activity: In Vitro Combined Molecular Docking Oriental Journal of Chemistry 36 (2020) 262-267 doi |
| Computational design of substrate selective inhibition PLOS Computational Biology 16 (3) (2020) e1007713 doi |
| Pharmacological inhibition of lysine-specific demethylase 1 (LSD1) induces global transcriptional deregulation and ultrastructural alterations that impair viability in Schistosoma mansoni PLOS Neglected Tropical Diseases 14 (7) (2020) e0008332 doi |
| Ubiquitin activation is essential for schizont maturation in Plasmodium falciparum blood-stage development PLOS Pathogens 16 (6) (2020) e1008640 doi |
| Inhibition of the NAD salvage pathway in schistosomes impairs metabolism, reproduction, and parasite survival PLOS Pathogens 16 (5) (2020) e1008539 doi |
| Appraisal of in vitro, in vivo and multi-targeted molecular docking analysis of atorvastatin to elucidate its anti-arthritic potential Pak. J. Pharm. Sci. 33 (2020) 1183-1190 doi |
| Synthesis, molecular docking and anti-diabetic studies of novel Pak. J. Pharm. Sci. 33 (2020) 847-854 doi |
| Screening of novel phytochemicals as secreted frizzled-related protein 4 inhibitors: An early stage biomarker of Type 2 diabetes Pak. J. Pharm. Sci. 33 (2020) 1245-1250 doi |
| In silico Identification of Peptide as Epidermal Growth Factor Receptor Tyrosine Kinase Inhibitors in Lung Cancer Treatment Pakistan Journal of Biological Sciences 23 (2020) 567-574 doi |
| Prediction of material foundation of Ling-Gui-Zhu-Gan decoction for chronic heart failure based on molecular docking Pakistan Journal of Pharmaceutical Sciences 33 (2020) 1459-1464 |
| Biological activity of esters of quinoxaline-7-carboxylate 1,4-di-N-oxide against E. histolytica and their analysis as potential thioredoxin reductase inhibitors Parasitology Research (2020) doi |
| Efflux MexAB-Mediated Resistance in P. aeruginosa Isolated from Patients with Healthcare Associated Infections Pathogens 9 (6) (2020) doi |
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| Design, synthesis and evaluation of E2-25K derived stapled peptides Peptide Science n/a (n/a) (2020) e24158 doi |
| Peptides to Combat Viral Infectious Diseases Peptides (2020) 170402 doi |
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| New Polysubstituted Pyrazole Derivatives: Synthesis and Cytotoxicity Studies Russian Journal of General Chemistry 90 (6) (2020) 1062-1068 doi |
| Synthesis and Anti-Proliferative Activity of Novel Tricyclic Compounds Derived from 2-Substituted 1,3-Indandione Russian Journal of General Chemistry 90 (4) (2020) 686-696 doi |
| In silico guided designing of 4-(1H-benzo[d]imidazol-2-yl)phenol-based mutual-prodrugs of NSAIDs: synthesis and biological evaluation SAR and QSAR in Environmental Research (2020) 1-24 doi |
| 2D QSAR studies on a series of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one as CETP inhibitors SAR and QSAR in Environmental Research (2020) 1-16 doi |
| Quantitative structure–property relationship of distribution coefficients of organic compounds SAR and QSAR in Environmental Research (2020) 1-12 doi |
| Based on Principles and Insights of COVID-19 Epidemiology, Genome Sequencing, and Pathogenesis: Retrospective Analysis of Sinigrin and ProlixinRX (Fluphenazine) Provides Off-Label Drug Candidates SLAS DISCOVERY: Advancing the Science of Drug Discovery (2020) 2472555220950236 doi |
| In silico evaluation of antimicrobial, antihyaluronidase and bioavailability parameters of rosmarinic acid in Perilla frutescens leaf extracts SN Applied Sciences 2 (9) (2020) 1547 doi |
| Identification of pyrazolotriazinones as potential agents for hyperuricemia treatment by using in vitro and in silico studies SN Applied Sciences 2 (7) (2020) 1298 doi |
| Bioassay-guided isolation of anti-hepatitis B virus flavonoid myricetin-3-O-rhamnoside along with quercetin from Guiera senegalensis leaves Saudi Pharmaceutical Journal (2020) doi |
| Formulation and Evaluation of Cyclodextrin-Based Nanosponges of Griseofulvin as Pediatric Oral Liquid Dosage Form for Enhancing Bioavailability and Masking Bitter Taste Saudi Pharmaceutical Journal (2020) doi |
| Design of an in vitro biocatalytic cascade for the manufacture of islatravir Science 366 (6470) (2019) 1255 doi |
| Monitoring the Heavy Metal Lead Inside Living Drosophila with a FRET-Based Biosensor Sensors 20 (6) (2020) doi |
| A DNAzyme-rGO coupled fluorescence assay for T4PNK activity in vitro and intracellular imaging Sensors and Actuators B: Chemical (2020) 127884 doi |
| Parathyroid Hormone Derivative with Reduced Osteoclastic Activity Promoted Bone Regeneration via Synergistic Bone Remodeling and Angiogenesis Small n/a (n/a) (2020) 1905876 doi |
| Crystal structural and in silico studies of Schiff bases derived from 4-aminoantipyrine Solid State Sciences 106 (2020) 106293 doi |
| Neuroprotective effects of pulicaria undulata essential oil in rotenone model of parkinson's disease in rats: Insights into its anti-inflammatory and anti-oxidant effects South African Journal of Botany 132 (2020) 289-298 doi |
| Metabolic profiling, histopathological anti-ulcer study, molecular docking and molecular dynamics of ursolic acid isolated from Ocimum forskolei Benth. (family Lamiaceae) South African Journal of Botany 131 (2020) 311-319 doi |
| A comprehensive study on narcissus tazetta subsp. tazetta L.: Chemo-profiling, isolation, anticholinesterase activity and molecular docking of amaryllidaceae alkaloids South African Journal of Botany 130 (2020) 148-154 doi |
| Diketopeprazin and Methyl-5-docosenoate from endophytic fungi Aureobasidium pollulan BSS6 with α-Glucosidase inhibition and its validation through molecular docking South African Journal of Botany (2020) doi |
| A Spectroscopic, Thermodynamic and Molecular Docking Study of the Binding Mechanism of Dapoxetine with Calf Thymus DNA South African Journal of Chemistry 73 (2020) 44-50 doi |
| Carbazole derivatives containing chalcone analogues targeting topoisomerase II inhibition: First principles characterization and QSAR modelling Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy (2020) 118724 doi |
| An enhanced first derivative synchronous spectrofluorimetric method for determination of the newly co-formulated drugs, amlodipine and celecoxib in pharmaceutical preparation and human plasma Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy (2020) 118533 doi |
| Poziotinib and bovine serum albumin binding characterization and influence of quercetin, rutin, naringenin and sinapic acid on their binding interaction Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy (2020) 118335 doi |
| SAR based in-vitro anticholinesterase and molecular docking studies of nitrogenous progesterone derivatives Steroids 158 (2020) 108599 doi |
| A molecular docking simulation study on potent inhibitors against Rhizoctonia solani and Magnaporthe oryzae in rice: silver-tetrylene and bis-silver-tetrylene complexes vs. validamycin and tricyclazole pesticides Structural Chemistry (2020) doi |
| Synthesis, antibacterial evaluation and molecular docking studies of novel series of acridone- 1,2,3-triazole derivatives Structural Chemistry (2020) doi |
| In silico studies of novel scaffold of thiazolidin-4-one derivatives as anti-Toxoplasma gondii agents by 2D/3D-QSAR, molecular docking, and molecular dynamics simulations Structural Chemistry (2020) doi |
| Acquired Functional Capsid Structures in Metazoan Totivirus-like dsRNA Virus Structure (2020) doi |
| F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening Structure (2020) doi |
| Synthesis, cytotoxicity, in-vitro antibacterial screening and in-silico study of novel thieno[2,3-b]pyridines as potential pim-1 inhibitors Synthetic Communications (2020) 1-14 doi |
| DNAzyme and rGO based fluorescence assay for Fpg activity analysis, drug screening, and bacterial imaging Talanta 218 (2020) 121158 doi |
| Discovery of high affinity γ-Hydroxybutyrate (GHB) Receptor Ligands for SSADH Deficiency, a Disorder of GABA Metabolism The FASEB Journal 34 (S1) (2020) 1-1 doi |
| Identification of novel interacting regions involving calcineurin and nuclear factor of activated T cells The FASEB Journal n/a (n/a) (2020) doi |
| Development of an in vitro screening assay for PIP5K1α lipid kinase and identification of potent inhibitors The FEBS Journal n/a (n/a) (2020) doi |
| Improvement of the novel inhibitor for Mycobacterium enoyl-acyl carrier protein reductase (InhA): a structure–activity relationship study of KES4 assisted by in silico structure-based drug screening The Journal of Antibiotics (2020) doi |
| A novel monoclonal antibody cross-reactive with both human and mouse α9 integrin useful for therapy against rheumatoid arthritis The Journal of Biochemistry (2020) doi |
| A novel site-specific chemical conjugation of IgG antibodies by affinity peptide for immunoassays The Journal of Biochemistry (2020) doi |
| Electrosynthesis of a Biaurone by Controlled Dimerization of Flavone: Mechanistic Insight and Large-Scale Application The Journal of Organic Chemistry (2020) doi |
| Molecular docking, anti-proliferative activity and induction of apoptosis in human liver cancer cells treated with androstane derivatives: Implication of PI3K/AKT/mTOR pathway The Journal of Steroid Biochemistry and Molecular Biology (2020) 105604 doi |
| Synthesis and applications of theranostic oligonucleotides carrying multiple fluorine atoms Theranostics 10 (3) (2020) 1391-1414 doi |
| Estimating the potential toxicity of chiral diclofop-methyl: Mechanistic insight into the enantioselective behavior Toxicology 438 (2020) 152446 doi |
| Tracing and attribution of V-type nerve agents in human exposure by strategy of assessing the phosphonylated and disulfide adducts on ceruloplasmin Toxicology 430 (2020) 152346 doi |
| Protein adduct binding properties of tabun-subtype nerve agents after exposure in vitro and in vivo Toxicology Letters 321 (2020) 1-11 doi |
| The triphenyltin carboxylate derivative triphenylstannyl 2-(benzylcarbamoyl)benzoate impedes prostate cancer progression via modulation of Akt/FOXO3a signaling Toxicology and Applied Pharmacology (2020) 115091 doi |
| Non-peptide molecules in the pedicellariae of Toxopneustes roseus Toxicon (2020) doi |
| Evaluation of Existing Models to Estimate Sorption Coefficients for Ionisable Pharmaceuticals in Soils and Sludge Toxics 8 (1) (2020) doi |
| Interactions of Destruxin A with Silkworms’ Arginine tRNA Synthetase and Lamin-C Proteins Toxins 12 (2) (2020) doi |
| APETx-Like Peptides from the Sea Anemone Heteractis crispa, Diverse in Their Effect on ASIC1a and ASIC3 Ion Channels Toxins 12 (4) (2020) doi |
| New Insights into the Type II Toxins from the Sea Anemone Heteractis crispa Toxins 12 (1) (2020) doi |
| Novel ACE mutations mimicking sarcoidosis by increasing blood ACE levels Translational Research (2020) doi |
| Influenza Hemagglutinin Nanoparticle Vaccine Elicits Broadly Neutralizing Antibodies against Structurally Distinct Domains of H3N2 HA Vaccines 8 (1) (2020) doi |
| Prediction of inhibition constants of (R)-3-amidinophenylalanine inhibitors toward factor Xa by 2D-QSAR model Vietnam Journal of Science, Technology and Engineering 62 (2) (2020) 24-29 doi |
| Suramin Inhibits Chikungunya Virus Replication by Interacting with Virions and Blocking the Early Steps of Infection Viruses 12 (3) (2020) doi |
| Next generation 3D pharmacophore modeling WIREs Computational Molecular Science 10 (4) (2020) e1468 doi |
| Differences in efficacy, resistance mechanism and target protein interaction between two PPO inhibitors in Palmer amaranth (Amaranthus palmeri) Weed Science 68 (2) (2020) 105-115 doi |
| Identification of 6-(piperazin-1-yl)-1,3,5-triazine as a chemical scaffold with broad anti-schistosomal activities Wellcome Open Research 5 (2020) 169 doi |
| Preference for O-demethylation reactions in the oxidation of 2´-, 3´-, and 4´-methoxyflavones by human cytochrome P450 enzymes Xenobiotica (2020) 1-42 doi |
| Predicting Antibody Developability Profiles Through Early Stage Discovery Screening mAbs 12 (1) (2020) 1743053 doi |
| Dissecting the molecular basis of high viscosity of monospecific and bispecific IgG antibodies mAbs 12 (1) (2020) 1692764 doi |
| Unstable Mechanisms of Resistance to Inhibitors of Escherichia coli Lipoprotein Signal Peptidase mBio 11 (5) (2020) e02018-20 doi |
| GLUCOAMYLASE BLENDS DANISCO US INC (Palo Alto, CA, US) (2020) |
| ALKYL CHAIN MODIFIED IMIDAZOQUINOLINE TLR7/8 AGONIST COMPOUNDS AND USES THEREOF DYNAVAX (Emeryville CA) (2020) |
| Chapter 11 Studies in Natural Products Chemistry 64 Elsevier (2020) 321-364 doi |
| ANTIGEN BINDING MOLECULES AND METHODS OF USE THEREOF Kite Pharma, Inc. (Santa Monica, CA, US) (2020) |
| SURVIVIN-TARGETING ANTI-TUMOR AGENTS AND USES THEREOF Indiana University Research and Technology Corporation (2020) |
| ENGINEERED POLYPEPTIDES Denali Therapeutics Inc. (South San Francisco, CA, US) (2020) |
| Modulation of Bacterial Quorum Sensing With Synthetic Ligands WISCONSIN ALUMNI RESEARCH FOUNDATION (Madison, WI, US) (2020) |
| B7-H5, A Costimulatory Polypeptide (2020) |
| RNA POLYMERASE VARIANTS ModernaTX, Inc. (Cambridge, MA, US) (2020) |
| ANTI-TIGIT ANTIBODIES Merck Sharp & Dohme Corp. (Rahway, NJ, US) (2020) |
| FUSION PROTEIN CONTAINING TGF-ß RECEPTOR AND MEDICINAL USES THEREOF Jiangsu Hengrui Medicine Co., Ltd. (Lianyungang, Jiangsu, CN),Shanghai Hengrui Pharmaceutical Co., Ltd. (Minhang District, Shanghai, CN) (2020) |
| Quantum Mechanical/X-ray Crystallography Diagnostic for Proteins QuantumBio Inc. (State College, PA, US) (2020) |
| PHARMACEUTICAL COMPOSITION COMPRISING PCSK-9 ANTIBODY AND USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (Lianyungang, Jiangsu, CN) (2020) |
| Chapter Two Advances in Molecular Toxicology 13 Elsevier (2020) 31-68 doi |
| Estimating and Predicting Exposure to Products from Emerging Technologies Synthetic Biology 2020: Frontiers in Risk Analysis and Governance Springer International Publishing (2020) 107-142 doi |
| METHODS AND PLATFORM FOR SCREENING AND SELECTING METABOLITES AND THEIR RECEPTORS University of Texas, Texas A&M (2020) |
| TARGETED HETERODIMERIC FC FUSION PROTEINS CONTAINING IL-15/IL-15RA AND NKG2D ANTIGEN BINDING DOMAINS Xencor (Monrovia, CA, US) (2020) |
| OPTIMIZED ANTI-TL1A ANTIBODIES Prometheus Biosciences Inc. (San Diego, CA, US) (2020) |
| PD-1 TARGETED IL-15/IL-15RALPHA FC FUSION PROTEINS AND USES IN COMBINATION THERAPIES THEREOF Xencor, Inc. (Monrovia, CA, US) (2020) |
| SOST ANTIBODY PHARMACEUTICAL COMPOSITION AND USES THEREOF Jiangsu Hengrui Medicine Co., Ltd. (Lianyungang, Jiangsu, CN), Shanghai Hengrui Pharmaceutical Co., Ltd. (Minhang District, Shanghai, CN) (2020) |
| GLYCOSYLATED PEPTIDES WITH PSEUDOPROLINE RESIDUES AND HAVING ENHANCED HALF-LIVES AND ABILITY TO CROSS THE BLOOD BRAIN BARRIER ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (Tucson, AZ, US) (2020) |
| PHARMACEUTICAL COMPOSITION COMPRISING C-MET ANTIBODY-DRUG CONJUGATE AND USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (Lianyungang, Jiangsu, CN),Shanghai Hengrui Pharmaceutical Co., Ltd. (Minhang District, Shanghai, CN) (2020) |
| Accurate Scoring in Seconds with the Fragment Molecular Orbital and Density-Functional Tight-Binding Methods Quantum Mechanics in Drug Discovery Springer US (2020) 143-148 doi |
| ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (Copenhagen, DK) (2020) |
| Molecular Docking Using Quantum Mechanical-Based Methods Quantum Mechanics in Drug Discovery Springer US (2020) 269-284 doi |
| METHODS FOR TREATING INFLAMMATION USING ANTIBODIES TO KALLIDIN AND DES-ARG10-KALLIDIN SANOFI (Paris, FR) (2020) |
| Glutamine Transport Inhibitors and Methods for Treating Cancer Vanderbilt University (Nashville, TN, US) (2020) |
| REAGENTS FOR INDUCING AN IMMUNE RESPONSE Dana-Farber Cancer Institute, Inc. (Boston, MA, US),President and Fellows of Harvard College (Cambridge, MA, US),Massachusetts Institute of Technology (Cambridge, MA, US) (2020) |
| Glutamate Transporter Activators and Methods Using Same Drexel University (Philadelphia, PA, US) (2020) |
| TIGIT ANTIBODY, ANTIGEN-BINDING FRAGMENT THEREOF, AND MEDICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (Lianyungang, Jiangsu, CN), SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (Shanghai, CN) (2020) |
| SERINE PROTEASES OF THE BACILLUS GIBSONII-CLADE DANISCO US INC (Palo Alto, CA, US) (2020) |
| IL-5 ANTIBODY, ANTIGEN BINDING FRAGMENT THEREOF, AND MEDICAL APPLICATION THEREFOR Jiangsu Hengrui Medicine Co., Ltd. (Lianyungang, Jiangsu, CN), Shanghai Hengrui Pharmaceutical Co., Ltd. (Shanghai, CN) (2020) |
| Methods for saccharifying a starch substrate Danisco US Inc. (Palo Alto, CA, US) (2020) |
| Computational Methods Used in Phytocompound-Based Drug Discovery Plant-derived Bioactives: Chemistry and Mode of Action Springer Singapore (2020) 549-573 doi |
| IL15/IL15Ralpha HETERODIMERIC Fc-FUSION PROTEINS Xencor, Inc. (Monrovia, CA, US) (2020) |
| ANTI-LAP ANTIBODY VARIANTS AND USES THEREOF Tilos Therapeutics, Inc. (Rahway, NJ, US),Merck Sharp & Dohme Corp. (Rahway, NJ, US) (2020) |
| BISPECIFIC HETERODIMERIC FUSION PROTEINS CONTAINING IL-15 Xencor, Inc. (Monrovia, CA, US) (2020) |
| NEW TOLL-LIKE RECEPTOR 9 ANTAGONISTS FRAUNHOFER-GESELLSCHAFT ZUR FÖRDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (München, DE),YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (Jerusalem, IL), (2020) |
| ANTI-CEACAM5 ANTIBODIES AND USES THEREOF SANOFI (Paris, FR) (2020) |
| MONOCYCLIC THIENO, PYRIDO, AND PYRROLO PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE OF SAME Duquesne University of the Holy Spirit (Pittsburgh, PA, US) (2020) |
| TRPV2 Antagonists Instituto de Medicina Molecular João Lobo Antunes (Lisbon, PT) (2020) |
| FAST-OFF RATE SERUM ALBUMIN BINDING FIBRONECTIN TYPE III DOMAINS BRISTOL-MYERS SQUIBB COMPANY (PRINCETON, NJ, US) (2020) |
| Purification Process for Removal of Tyrosine Sulfation Antibody Variants; Purified Compositions Merck Sharp & Dohme Corp. (Rahway, NJ, US) (2020) |
| Environmental Toxicity (Q)SARs for Polymers as an Emerging Class of Materials in Regulatory Frameworks, with a Focus on Challenges and Possibilities Regarding Cationic Polymers Ecotoxicological QSARs Springer US (2020) 681-705 doi |
| Chapter 8 Emerging and Reemerging Viral Pathogens Academic Press (2020) 121-145 doi |
| Chapter 17 Biophysical Characterization of Proteins in Developing Biopharmaceuticals (Second Edition) Elsevier (2020) 505-526 doi |
| Conformational Searching with Quantum Mechanics Quantum Mechanics in Drug Discovery Springer US (2020) 207-229 doi |
| Computational Structural Biology for Drug Discovery Structural Biology in Drug Discovery (2020) 347-361 doi |
| COMPOUNDS, COMPOSITIONS, AND METHODS FOR INHIBITING BACTERIAL GROWTH Board of Trustees of Michigan Stat University (East Lansing, MI, US) (2020) |
| CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME Chugai Seiyaku Kabushiki Kaisha (Tokyo, JP) (2020) |
| Chapter 9 Emerging and Reemerging Viral Pathogens Academic Press (2020) 147-177 doi |
| Compositions and Methods for Treating Pathological Calcification and Ossification YALE UNIVERSITY (New Haven, CT, US) (2020) |
| METHODS OF TREATMENT USING IL-23p19 MONOCLONAL ANTIBODIES Bristol-Myers Squibb Company (Princeton, NJ, US) (2020) |
| Immunoproteasome Inhibitor The Regents of the University of California (Oakland, CA, US) (2020) |
| INTEGRIN ANTAGONISTS Massachusetts General Hospital Corporation (Boston, MA, US) (2020) |
| Developing Kinase Inhibitors Using Computer-Aided Drug Design Approaches Next Generation Kinase Inhibitors: Moving Beyond the ATP Binding/Catalytic Sites Springer International Publishing (2020) 81-108 doi |
| ANTIGEN-BINDING MOLECULE CAPABLE OF BINDING TO TWO OR MORE ANTIGEN MOLECULES REPEATEDLY Chugai Seiyaku Kabushiki Kaisha (Tokyo, JP) (2020) |