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 |
| IRES-targeting small molecule inhibits enterovirus 71 replication via allosteric stabilization of a ternary complex Nature Communications 11 (1) (2020) 4775 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 IPN60090, a Clinical Stage Selective Glutaminase-1 (GLS-1) Inhibitor with Excellent Pharmacokinetic and Physicochemical Properties Journal of Medicinal Chemistry (2020) doi |
| Design, Synthesis, and Structure–Activity Relationship Studies of Dual Inhibitors of Soluble Epoxide Hydrolase and 5-Lipoxygenase Journal of Medicinal Chemistry (2020) doi |
| Structure-Based Discovery of Novel Ligands for the Orexin 2 Receptor 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 optimization and mechanistic study of a class of quinazolinone-threonine hybrids as antibacterial ThrRS inhibitors European Journal of Medicinal Chemistry 207 (2020) 112848 doi |
| 2-((1-phenyl-1H-1,2,3-triazol-4-yl)methyl)-2-azabicyclo[3.2.1]octan-3-one derivatives: simplification and modification of aconitine scaffold for the discovery of novel anticancer agents European Journal of Medicinal Chemistry (2020) 112988 doi |
| Exploring the ability of dihydropyrimidine-5-carboxamide and 5-benzyl-2,4-diaminopyrimidine-based analogues for the selective inhibition of L. major Dihydrofolate reductase European Journal of Medicinal Chemistry (2020) 112986 doi |
| Alkylated monoterpene indole alkaloid derivatives as potent P-glycoprotein inhibitors in resistant cancer cells European Journal of Medicinal Chemistry (2020) 112985 doi |
| Design, Synthesis and Biological Evaluation of Novel Naphthoquinone-4-aminobenzensulfonamide/carboxamide Derivatives as Proteasome Inhibitors European Journal of Medicinal Chemistry (2020) 112890 doi |
| Amphiphilic Desmuramyl Peptides for the Rational Design of New Vaccine Adjuvants: Synthesis, In Vitro Modulation of Inflammatory Response and Molecular Docking Studies European Journal of Medicinal Chemistry (2020) 112863 doi |
| Activity cliffs produced by single-atom modification of active compounds: systematic identification and rationalization based on X-ray structures European Journal of Medicinal Chemistry (2020) 112846 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 |
| Multi-spectroscopic investigation, molecular docking and molecular dynamic simulation of competitive interactions between flavonoids (quercetin and rutin) and sorafenib for binding to human serum albumin International Journal of Biological Macromolecules 165 (2020) 2451-2461 |
| Construction and biochemical characterization of a novel hybrid alginate lyase with high activity by module recombination to prepare alginate oligosaccharides International Journal of Biological Macromolecules (2020) doi |
| Intracellular protein kinase CK2 inhibition by ferulic acid-based trimodal nanodevice International Journal of Biological Macromolecules (2020) doi |
| Analysis of the anti-inflammatory effect of the aptamer LA27 and its binding mechanism International Journal of Biological Macromolecules (2020) 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 |
| Chemoinformatics-based enumeration of chemical libraries: a tutorial Journal of Cheminformatics 12 (1) (2020) 64 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 |
| Engineering cofactor supply and NADH-dependent d-galacturonic acid reductases for redox-balanced production of l-galactonate in Saccharomyces cerevisiae Scientific Reports 10 (1) (2020) 19021 doi |
| Structure-based design and discovery of novel anti-tissue factor antibodies with cooperative double-point mutations, using interaction analysis Scientific Reports 10 (1) (2020) 17590 doi |
| Long-acting antibody ligand mimetics for HER4-selective agonism Scientific Reports 10 (1) (2020) 17257 doi |
| Data based predictive models for odor perception Scientific Reports 10 (1) (2020) 17136 doi |
| Mechanistic insights into the loss-of-function mechanisms of rare human D-amino acid oxidase variants implicated in amyotrophic lateral sclerosis Scientific Reports 10 (1) (2020) 17146 doi |
| Solution structure of the Hop TPR2A domain and investigation of target druggability by NMR, biochemical and in silico approaches Scientific Reports 10 (1) (2020) 16000 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 |
| Pharmacological properties and biochemical mechanisms of μ-opioid receptor ligands might be due to different binding poses: MD Studies Future Medicinal Chemistry (2020) doi |
| Identification of Noncompetitive Protein–Ligand Interactions for Structural Optimization Journal of Chemical Information and Modeling (2020) doi |
| Discovery of Dual FGFR4 and EGFR Inhibitors by Machine Learning and Biological Evaluation Journal of Chemical Information and Modeling (2020) 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 |
| SAMPL7: Host–guest binding prediction by molecular dynamics and quantum mechanics Journal of Computer-Aided Molecular Design (2020) doi |
| The critical role of QM/MM X-ray refinement and accurate tautomer/protomer determination in structure-based drug design Journal of Computer-Aided Molecular Design (2020) 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 |
| Virtual Screening Identifies Chebulagic Acid as an Inhibitor of the M2(S31N) Viral Ion Channel and Influenza A Virus Molecules 25 (12) (2020) doi |
| Substituted N-(Pyrazin-2-yl)benzenesulfonamides; Synthesis, Anti-Infective Evaluation, Cytotoxicity, and In Silico Studies Molecules 25 (1) (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 |
| 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 |
| 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 |
| Structure-Based Virtual Screening and Biological Evaluation of Peptide Inhibitors for Polo-Box Domain Molecules 25 (1) (2020) doi |
| Bioassay-Guided Isolation, Metabolic Profiling, and Docking Studies of Hyaluronidase Inhibitors from Ravenala madagascariensis Molecules 25 (7) (2020) doi |
| Oligomeric Procyanidin Nanoliposomes Prevent Melanogenesis and UV Radiation-Induced Skin Epithelial Cell (HFF-1) Damage Molecules 25 (6) (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 |
| 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 |
| Novel Peptide CM 7 Targeted c-Met with Antitumor Activity Molecules 25 (3) (2020) doi |
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| Comparative Structural Analysis of Different Mycobacteriophage-Derived Mycolylarabinogalactan Esterases (Lysin B) Biomolecules 10 (1) (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 |
| Functional Expression of All Human Sulfotransferases in Fission Yeast, Assay Development, and Structural Models for Isoforms SULT4A1 and SULT6B1 Biomolecules 10 (11) (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 |
| Synthesis, In Vitro Evaluation, and Computational Simulations Studies of 1,2,3-Triazole Analogues as DPP-4 Inhibitors Bioorganic & Medicinal Chemistry (2020) 115861 doi |
| Discovery of a Potent Dual Inhibitor of Wild-Type and Mutant Respiratory Syncytial Virus Fusion Proteins through the Modulation of Atropisomer Interconversion Properties Bioorganic & Medicinal Chemistry (2020) 115818 doi |
| Optimization of Kinetic Stabilizers of Tetrameric Transthyretin: A Prospective Ligand Efficiency-guided Approach Bioorganic & Medicinal Chemistry (2020) 115794 doi |
| Lead Optimization of 8-(Methylamino)-2-oxo-1,2-dihydroquinolines as Bacterial Type II Topoisomerase Inhibitors Bioorganic & Medicinal Chemistry (2020) 115776 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 |
| New series of isoxazole derivatives targeting EGFR-TK: Synthesis, molecular modeling and antitumor evaluation Bioorganic & Medicinal Chemistry (2020) 115674 doi |
| Design, synthesis, biological evaluation, QSAR analysis and molecular modelling of new thiazol-benzimidazoles as EGFR inhibitors Bioorganic & Medicinal Chemistry (2020) 115657 doi |
| 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 |
| Synthesis and biological evaluation of triazolyl-substituted benzyloxyacetohydroxamic acids as LpxC inhibitors Bioorganic & Medicinal Chemistry (2020) 115529 doi |
| Design, synthesis and acaricidal activities of Cyflumetofen analogues based on carbon-silicon isosteric replacement Bioorganic & Medicinal Chemistry (2020) 115509 doi |
| Synthesis, state-of-the-art NMR-binding and molecular modeling study of new benzimidazole core derivatives as Pin1 inhibitors: Targeting breast cancer Bioorganic & Medicinal Chemistry (2020) 115495 doi |
| Design and synthesis of novel pyrrolo[2,3-b]pyridine derivatives targeting V600EBRAF Bioorganic & Medicinal Chemistry (2020) 115493 doi |
| Syntheses, in vitro α-amylase and α-glucosidase dual inhibitory activities of 4-amino-1,2,4-triazole derivatives their molecular docking and kinetic studies Bioorganic & Medicinal Chemistry (2020) 115467 doi |
| Synthesis and structure-activity relationships of thieno[2,3-d]pyrimidines as atypical protein kinase C inhibitors to control retinal vascular permeability and cytokine-induced edema Bioorganic & Medicinal Chemistry (2020) 115480 doi |
| 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 |
| Interruption of Vif/Elongin C interaction: In silico and experimental elucidation of the underlying molecular mechanism of benzimidazole-based APOBEC3G stabilizers Bioorganic & Medicinal Chemistry (2020) 115409 doi |
| Rational modifications, synthesis and biological evaluation of new potential antivirals for RSV designed to target the M2-1 protein Bioorganic & Medicinal Chemistry (2020) 115401 doi |
| 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 |
| A Highly Potent Maytansinoid Analogue and its Use as a Cytotoxic Therapeutic Agent in Gold Nanoparticles for the Treatment of Hepatocellular Carcinoma Bioorganic & Medicinal Chemistry Letters (2020) 127634 doi |
| New Thiazolopyrimidine as anticancer agents: Synthesis, biological evaluation, DNA binding, Molecular modeling and ADMET study Bioorganic & Medicinal Chemistry Letters (2020) 127611 doi |
| Design of a dual ERK5 kinase activation and autophosphorylation inhibitor to block cancer stem cell activity Bioorganic & Medicinal Chemistry Letters (2020) 127552 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 |
| Calpain-2 participates in the process of calpain-1 inactivation Bioscience Reports (2020) 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 |
| Testing amino acid-codon affinity hypothesis using molecular docking Biosystems 198 (2020) 104251 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 |
| Current development of integrated web servers for preclinical safety and pharmacokinetics assessments in drug development Briefings in Bioinformatics (2020) doi |
| Cloud 3D-QSAR: a web tool for the development of quantitative structure–activity relationship models in drug discovery 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 |
| Overcoming the blood–brain barrier by Annexin A1-binding peptide to target brain tumours British Journal of Cancer (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 |
| Uses of beta-diketones for the synthesis of novel heterocyclic compounds and their antitumor evaluations Bull. Chem. Soc. Ethiop. 34 (2020) 385-405 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 |
| Combined treatment of mitoxantrone sensitizes breast cancer cells to rapalogs through blocking eEF-2K-mediated activation of Akt and autophagy Cell Death & Disease 11 (11) (2020) 948 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 |
| Charcot-Marie-Tooth Type 2B: A New Phenotype Associated with a Novel RAB7A Mutation and Inhibited EGFR Degradation Cells 9 (4) (2020) doi |
| A Novel Small-Molecule Inhibitor of Endosomal TLRs Reduces Inflammation and Alleviates Autoimmune Disease Symptoms in Murine Models Cells 9 (7) (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 |
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| A modified Arrhenius approach to thermodynamically study regioselectivity in Cytochrome P450 catalyzed substrate conversion ChemBioChem n/a (n/a) (2020) doi |
| Molecular dynamics simulations of ASC09, ritonavir, lopinavir and darunavir with the COVID-19 protease Chemia Naissensis 3 (2020) 155-166 |
| 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 |
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| 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 Insights into Structural and Ligand Binding Features of Methoprene-Tolerant in Daphnids Chemical Research in Toxicology (2020) 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 |
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| 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 |
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| 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 |
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| 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 |
| Simultaneous Determination of Losartan and Rosuvastatin in Rat Plasma Using Liquid Chromatography–Tandem Mass Spectrometric Technique for Application into Pharmacokinetic and Drug–Drug Interaction Studies Chromatographia (2020) doi |
| A novel COQ8A missense variant associated with a mild form of primary coenzyme Q10 deficiency type 4 Clinical Biochemistry (2020) doi |
| Hemisyntheses and In-Silico Study of New Analogues of Carlina Oxide from Carthamus Caeruleus Roots Combinatorial chemistry & high throughput screening (2020) doi |
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| 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 |
| Evaluation of Quantitative Structure Property Relationship Algorithms for Predicting Plasma Protein Binding in Humans Computational Toxicology (2020) 100142 doi |
| Experimental and computational analysis of biased agonism on full-length and a C-terminally truncated adenosine A2A receptor Computational and Structural Biotechnology Journal (2020) 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 |
| A Five-Coordinate Copper(II) Complex Constructed from Sterically Hindered 4-Chlorobenzoate and Benzimidazole: Synthesis, Crystal Structure, Hirshfeld Surface Analysis, DFT, Docking Studies and Antibacterial Activity Crystals 10 (11) (2020) doi |
| Repurposing of Auranofin Against Bacterial Infections: An In-silico and In-vitro Study Current Computer-Aided Drug Design 16 (2020) 1-15 doi |
| An Integrative Informatics Approach to Explain the Mechanism of Action of N1-(Anthraquinon-2-yl) Amidrazones as BCR/ABL Inhibitors Current Computer-Aided Drug Design 16 (2020) 1-14 doi |
| Molecular docking and in-vitro analysis of Fagonia cretica and Berberis lyceum extract against Brucella melitensis Current computer-aided drug design (2020) doi |
| Functional network analysis reveals potential repurposing of β-blocker atenolol for pancreatic cancer therapy DARU Journal of Pharmaceutical Sciences (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 |
| Integrated Network Pharmacology Analysis and Experimental Validation to Reveal the Mechanism of Anti-Insulin Resistance Effects of Moringa oleifera Seeds Drug Design, Development and Therapy 14 (2020) 4069-4084 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 |
| ISL Induces Apoptosis and Autophagy in Hepatocellular Carcinoma via Downregulation of PI3K/AKT/mTOR Pathway in vivo and in vitro Drug Design, Development and Therapy 14 (2020) 4363—4376 doi |
| Union is strength: antiviral and anti-inflammatory drugs for COVID-19 Drug Discovery Today (2020) |
| 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 |
| Silencing KIF18B enhances radiosensitivity: identification of a promising therapeutic target in sarcoma EBioMedicine 61 (2020) 103056 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 |
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| Studies of Emission Processes of Polymer Additives into Water using Quartz Crystal Microbalance – a Case Study on Organophosphate Esters Environmental Science & Technology (2020) doi |
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| Anthracene-induced DNA damage and oxidative stress: a combined study at molecular and cellular levels Environmental Science and Pollution Research (2020) doi |
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| Transmission of SARS-CoV-2 in South Asian countries: molecular evolutionary model based phylogenetic and mutation analysis Environmental Sustainability (2020) doi |
| γ-Glutamyltranspeptidase from Bacillus amyloliquefaciens: transpeptidation activity enhancement and L-theanine production Enzyme and Microbial Technology (2020) 109644 doi |
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| 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 |
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| 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 |
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| 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 |
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| Exploring the RNA-Recognition Mechanism Using Supervised Molecular Dynamics (SuMD) Simulations: Toward a Rational Design for Ribonucleic-Targeting Molecules? Frontiers in Chemistry 8 (2020) 107 doi |
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| Phosphodiesterase 1 inhibition and molecular docking study of phytochemicals isolated from stem heartwood of Heterophragma adenophyllum Seem South African Journal of Botany 135 (2020) 274-279 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 |
| Towards understanding of the interaction of certain carbapenems with protein via combined experimental and theoretical approach Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy (2020) 119005 doi |
| Influence of antioxidant flavonoids quercetin and rutin on the in-vitro binding of neratinib to human serum albumin Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy (2020) 118977 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 |
| Oxygenation state of hemoglobin defines dynamics of water molecules in its vicinity The Journal of Chemical Physics 153 (13) (2020) 135101 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 |
| Advances in epitope mapping technologies for food protein allergens: A review Trends in Food Science & Technology (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 |
| Liquid chromatography-tandem mass spectrometry analysis of oxidation of 2´-, 3´-, 4´-, and 6-hydroxyflavanones by human cytochrome P450 enzymes Xenobiotica (2020) 1-55 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 |
| TARGETED PROTEIN DEGRADATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (Brentford, GB) (2020) |
| INTEGRIN ANTAGONISTS Massachusetts General Hospital Corporation (Boston, MA, US) (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) |
| FAST-OFF RATE SERUM ALBUMIN BINDING FIBRONECTIN TYPE III DOMAINS BRISTOL-MYERS SQUIBB COMPANY (PRINCETON, NJ, US) (2020) |
| Computational Modeling in Virus Infections and Virtual Screening, Docking, and Molecular Dynamics in Drug Design Networks in Systems Biology: Applications for Disease Modeling Springer International Publishing (2020) 301-337 doi |
| Computational Methods Used in Phytocompound-Based Drug Discovery Plant-derived Bioactives: Chemistry and Mode of Action Springer Singapore (2020) 549-573 doi |
| TRPV2 Antagonists Instituto de Medicina Molecular João Lobo Antunes (Lisbon, PT) (2020) |
| ANTI-LAP ANTIBODY VARIANTS AND USES THEREOF Tilos Therapeutics, Inc. (Rahway, NJ, US),Merck Sharp & Dohme Corp. (Rahway, NJ, US) (2020) |
| ENGINEERED POLYPEPTIDES Denali Therapeutics Inc. (South San Francisco, CA, US) (2020) |
| ALKYL CHAIN MODIFIED IMIDAZOQUINOLINE TLR7/8 AGONIST COMPOUNDS AND USES THEREOF DYNAVAX (Emeryville CA) (2020) |
| ANTI-CEACAM5 ANTIBODIES AND USES THEREOF SANOFI (Paris, FR) (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) |
| COMPOSITIONS AND METHODS FOR INHIBITING WNT SIGNALING Children's Medical Center Corporation (Boston, MA, US), The Regents of the University of California (Oakland, CA, US) (2020) |
| METHODS AND PLATFORM FOR SCREENING AND SELECTING METABOLITES AND THEIR RECEPTORS University of Texas, Texas A&M (2020) |
| Machine Learning Approaches to Rational Drug Design Computer-Aided Drug Design Springer Singapore (2020) 279-306 doi |
| 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) |
| Glutamine Transport Inhibitors and Methods for Treating Cancer Vanderbilt University (Nashville, TN, 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 |
| Recent Perspectives on COVID-19 and Computer-Aided Virtual Screening of Natural Compounds for the Development of Therapeutic Agents Towards SARS-CoV-2 Springer US (2020) 1-39 doi |
| Methods for saccharifying a starch substrate Danisco US Inc. (Palo Alto, CA, 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) |
| PD-1 TARGETED IL-15/IL-15RALPHA FC FUSION PROTEINS AND USES IN COMBINATION THERAPIES THEREOF Xencor, Inc. (Monrovia, CA, US) (2020) |
| ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (Copenhagen, DK) (2020) |
| Chapter 8 Emerging and Reemerging Viral Pathogens Academic Press (2020) 121-145 doi |
| SURVIVIN-TARGETING ANTI-TUMOR AGENTS AND USES THEREOF Indiana University Research and Technology Corporation (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) |
| Modulation of Bacterial Quorum Sensing With Synthetic Ligands WISCONSIN ALUMNI RESEARCH FOUNDATION (Madison, WI, 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) |
| TARGETING THE TLK1/NEK1 AXIS IN PROSTATE CANCER Board of Supervisors of Louisiana State University and Agricultural and Mechanical College (Baton Rouge, LA, US) (2020) |
| Molecular Modeling of Proteins: Methods, Recent Advances, and Future Prospects Computer-Aided Drug Design Springer Singapore (2020) 23-47 doi |
| Chapter 11 Studies in Natural Products Chemistry 64 Elsevier (2020) 321-364 doi |
| B7-H5, A Costimulatory Polypeptide (2020) |
| ANTIGEN-BINDING MOLECULE CAPABLE OF BINDING TO TWO OR MORE ANTIGEN MOLECULES REPEATEDLY Chugai Seiyaku Kabushiki Kaisha (Tokyo, JP) (2020) |
| 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 |
| Immunoproteasome Inhibitor The Regents of the University of California (Oakland, CA, 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) |
| GLUCOAMYLASE BLENDS DANISCO US INC (Palo Alto, CA, US) (2020) |
| BISPECIFIC HETERODIMERIC FUSION PROTEINS CONTAINING IL-15 Xencor, Inc. (Monrovia, CA, US) (2020) |
| Molecular Docking Using Quantum Mechanical-Based Methods Quantum Mechanics in Drug Discovery Springer US (2020) 269-284 doi |
| T CELL RECEPTOR ANTIGEN BINDING MOLECULES AND METHODS OF USE THEREOF Kite Pharma, Inc. (Santa Monica, CA, US) (2020) |
| Glutamate Transporter Activators and Methods Using Same Drexel University (Philadelphia, PA, US) (2020) |
| GENETICALLY MODIFIED ISOPROPYLMALATE ISOMERASE ENZYME COMPLEXES AND PROCESSES TO PREPARE ELONGATED 2-KETOACIDS AND C5-C10 COMPOUNDS THEREWITH Dow Global Technologies LLC (Midland, MI, US) (2020) |
| SERINE PROTEASES OF THE BACILLUS GIBSONII-CLADE DANISCO US INC (Palo Alto, CA, US) (2020) |
| Computational Approaches in Drug Discovery and Design Computer-Aided Drug Design Springer Singapore (2020) 1-21 doi |
| Chapter Two Advances in Molecular Toxicology 13 Elsevier (2020) 31-68 doi |
| METHODS FOR TREATING INFLAMMATION USING ANTIBODIES TO KALLIDIN AND DES-ARG10-KALLIDIN SANOFI (Paris, FR) (2020) |
| SUBSTANCE P ANALOG HAVING PROGENITOR CELL OR STEM CELL RECRUITING ACTIVITY AND METHOD FOR PROGENITOR CELL OR STEM CELL RECRUITING USING THE SAME AJOU UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (Suwon-si, KR) (2020) |
| Dissecting the Drug Development Strategies Against SARS-CoV-2 Through Diverse Computational Modeling Techniques Springer US (2020) 1-103 doi |
| Chapter 17 Biophysical Characterization of Proteins in Developing Biopharmaceuticals (Second Edition) Elsevier (2020) 505-526 doi |
| IL15/IL15Ralpha HETERODIMERIC Fc-FUSION PROTEINS Xencor, Inc. (Monrovia, CA, US) (2020) |
| CYTOSINE-BASED TET ENZYME INHIBITORS President and Trustees of Bates College (Lewiston, ME, 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) |
| OPTIMIZED ANTI-TL1A ANTIBODIES Prometheus Biosciences Inc. (San Diego, CA, 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 |
| NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME The Board of Trustees of the University of Illinois (Urbana, IL, US), Board of Regents of the University of Texas System (Austin, TX, US) (2020) |
| PAENIBACILLUS AND BACILLUS SPP. MANNANASES DANISCO US INC (Palo Alto, CA, US) (2020) |
| Purification Process for Removal of Tyrosine Sulfation Antibody Variants; Purified Compositions Merck Sharp & Dohme Corp. (Rahway, NJ, US) (2020) |
| TARGETED HETERODIMERIC FC FUSION PROTEINS CONTAINING IL-15/IL-15RA AND NKG2D ANTIGEN BINDING DOMAINS Xencor (Monrovia, CA, 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) |
| 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 |
| CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME Chugai Seiyaku Kabushiki Kaisha (Tokyo, JP) (2020) |
| ANTIGEN BINDING MOLECULES AND METHODS OF USE THEREOF Kite Pharma, Inc. (Santa Monica, CA, US) (2020) |
| COMPOUNDS WITH ANTI-TUMOR ACTIVITY AGAINST CANCER CELLS BEARING EGFR OR HER2 EXON 20 MUTATIONS Board of Regents, The University of Texas System (Austin, TX, US) (2020) |
| Chapter 9 Emerging and Reemerging Viral Pathogens Academic Press (2020) 147-177 doi |
| PHARMACEUTICAL COMPOSITION COMPRISING PCSK-9 ANTIBODY AND USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (Lianyungang, Jiangsu, CN) (2020) |
| ANTI-TIGIT ANTIBODIES Merck Sharp & Dohme Corp. (Rahway, NJ, US) (2020) |
| METHODS OF TREATMENT USING IL-23p19 MONOCLONAL ANTIBODIES Bristol-Myers Squibb Company (Princeton, NJ, US) (2020) |
| COMPOUNDS, COMPOSITIONS, AND METHODS FOR INHIBITING BACTERIAL GROWTH Board of Trustees of Michigan Stat University (East Lansing, MI, US) (2020) |
| Compositions and Methods for Treating Pathological Calcification and Ossification YALE UNIVERSITY (New Haven, CT, US) (2020) |
| NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS University of Maryland, Baltimore (Baltimore, MD, US) (2020) |
| RNA POLYMERASE VARIANTS ModernaTX, Inc. (Cambridge, MA, US) (2020) |
| 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 |