2019
| Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis Nature (2019) doi |
| Structure of the mitochondrial import gate reveals distinct preprotein paths Nature (2019) doi |
| Trispecific antibodies enhance the therapeutic efficacy of tumor-directed T cells through T cell receptor co-stimulation Nature Cancer (2019) doi |
| Chiral synthesis of LSD1 inhibitor GSK2879552 enabled by directed evolution of an imine reductase Nature Catalysis 2 (10) (2019) 909-915 doi |
| Ultrahigh-throughput screening enables efficient single-round oxidase remodelling Nature Catalysis 2 (9) (2019) 740-747 doi |
| A small-molecule inhibitor of C5 complement protein Nature Chemical Biology (2019) doi |
| Arctigenin attenuates diabetic kidney disease through the activation of PP2A in podocytes Nature Communications 10 (1) (2019) 4523 doi |
| A mechanism for the activation of the mechanosensitive Piezo1 channel by the small molecule Yoda1 Nature Communications 10 (1) (2019) 4503 doi |
| Potent antibody lineage against malaria transmission elicited by human vaccination with Pfs25 Nature Communications 10 (1) (2019) 4328 doi |
| A general strategy for diversifying complex natural products to polycyclic scaffolds with medium-sized rings Nature Communications 10 (1) (2019) 4015 doi |
| Mechanism-based tuning of insect 3,4-dihydroxyphenylacetaldehyde synthase for synthetic bioproduction of benzylisoquinoline alkaloids Nature Communications 10 (1) (2019) 2015 doi |
| PIM kinases facilitate lentiviral evasion from SAMHD1 restriction via Vpx phosphorylation Nature Communications 10 (1) (2019) 1844 doi |
| Integrin activation by the lipid molecule 25-hydroxycholesterol induces a proinflammatory response Nature Communications 10 (1) (2019) 1482 doi |
| Automated de novo molecular design by hybrid machine intelligence and rule-driven chemical synthesis Nature Machine Intelligence 1 (7) (2019) 307-315 doi |
| Determinants of Zika virus host tropism uncovered by deep mutational scanning Nature Microbiology (2019) doi |
| Structure-Activity Relationship Studies of Pyridine-Based Ligands and Identification of a Fluorinated Derivative for the Positron Emission Tomography Imaging of Cannabinoid Type 2 Receptors Journal of Medicinal Chemistry (2019) doi |
| Structure-based optimization of coumarin hA3 adenosine receptor antagonists Journal of Medicinal Chemistry (2019) doi |
| An agonist radioligand for the proinflammatory lipid-activated G protein-coupled receptor GPR84 providing structural insights Journal of Medicinal Chemistry (2019) doi |
| Strategies for Late-stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding Journal of Medicinal Chemistry (2019) doi |
| Highly Selective Butyrylcholinesterase Inhibitors with Tunable Duration of Action by Chemical Modification of Transferable Carbamate Units Exhibit Pronounced Neuroprotective Effect in an Alzheimer’s Disease Mouse Model Journal of Medicinal Chemistry (2019) doi |
| THE BLOOD-BRAIN BARRIER (BBB) SCORE Journal of Medicinal Chemistry (2019) doi |
| Structural Basis of HIV-1 Inhibition by the Nucleotide-Competing Reverse Transcriptase Inhibitor INDOPY-1 Journal of Medicinal Chemistry (2019) doi |
| Design, Synthesis and Pharmacological Evaluation of Potent Positive Allosteric Modulators of the Glucagon-like Peptide-1 Receptor (GLP-1R) Journal of Medicinal Chemistry (2019) doi |
| Aryl-fluorosulfate-based Lysine Covalent pan-Inhibitors of Apoptosis Proteins (IAP) Antagonists with Cellular Efficacy Journal of Medicinal Chemistry (2019) doi |
| Design of gallinamide A analogs as potent inhibitors of the cysteine proteases human cathepsin L and Trypanosoma cruzi cruzain Journal of Medicinal Chemistry (2019) doi |
| Synthesis and Pharmacological Characterization of 2-(2,6-dichlorophenyl)-1-((1S,3R)-5-(3-hydroxy-3-methylbutyl)-3-(hydroxymethyl)-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one (LY3154207), a potent, subtype selective, and orally available positive allosteric modulator of the human dopamine D1 receptor Journal of Medicinal Chemistry (2019) doi |
| Antioxidant-conjugated 1,2,4-Triazolo[4,3-a]pyrazin-3-one Derivatives: Highly Potent and Selective Human A2A Adenosine Receptor Antagonists Possessing Protective Efficacy in Neuropathic Pain Journal of Medicinal Chemistry (2019) doi |
| Discovery of first in vivo active inhibitors of soluble epoxide hydrolase (sEH) phosphatase domain Journal of Medicinal Chemistry (2019) doi |
| Lead optimization yields high affinity Frizzled 7-targeting peptides that modulate Clostridium difficile toxin B pathogenicity in epithelial cells Journal of Medicinal Chemistry (2019) doi |
| Hip to be square: oxetanes as design elements to alter metabolic pathways Journal of Medicinal Chemistry (2019) doi |
| Modifications on the amino-3,5-dicyanopyridine core to obtain multifaceted adenosine receptor ligands with antineuropathic activity Journal of Medicinal Chemistry (2019) doi |
| The structure guided discovery of a selective Mcl-1 inhibitor with cellular activity Journal of Medicinal Chemistry (2019) doi |
| The route to prolonged residence time at the histamine H1 receptor: growing from desloratadine to rupatadine Journal of Medicinal Chemistry (2019) doi |
| Potent 5-Cyano-6-phenyl-pyrimidin-Based Derivatives Targeting DCN1–UBE2M Interaction Journal of Medicinal Chemistry (2019) doi |
| Design, Synthesis, and Pre-Clinical Efficacy of Novel Non-Retinoid Antagonists of Retinol Binding Protein 4 in the Mouse Model of Hepatic Steatosis Journal of Medicinal Chemistry (2019) doi |
| Selective Inhibition of Histone Deacetylase 10: Hydrogen Bonding to the Gatekeeper Residue is Implicated Journal of Medicinal Chemistry 62 (9) (2019) 4426-4443 doi |
| Novel Chemical Series of 5-Lipoxygenase-Activating Protein Inhibitors for Treatment of Coronary Artery Disease Journal of Medicinal Chemistry 62 (9) (2019) 4325-4349 doi |
| Identification of Thienopyrimidine Scaffold as Inhibitor of the ABC Transport Protein ABCC1 (MRP1) and Related Transporters Using a Combined Virtual Screening Approach Journal of Medicinal Chemistry (2019) doi |
| Structure–Activity Relationship of Purine and Pyrimidine Nucleotides as Ecto-5′-Nucleotidase (CD73) Inhibitors Journal of Medicinal Chemistry (2019) doi |
| Fragment-based discovery of a qualified hit targeting the Latency-associated Nuclear Antigen of the oncogenic Kaposi’s Sarcoma-associated Herpesvirus/Human Herpesvirus 8 Journal of Medicinal Chemistry (2019) doi |
| Fragment hits: What do they look like and how do they bind? Journal of Medicinal Chemistry (2019) doi |
| FragLites Journal of Medicinal Chemistry (2019) doi |
| Virtual Screening Identifies Irreversible FMS-like Tyrosine Kinase 3 Inhibitors with Activity towards Resistance-conferring Mutations Journal of Medicinal Chemistry (2019) doi |
| Discovery of a Natural-Product-Derived Preclinical Candidate for Once-Weekly Treatment of Type 2 Diabetes Journal of Medicinal Chemistry (2019) doi |
| Design, Synthesis and Biological Evaluation of 6-Substituted Thieno[3,2-d]pyrimidine Analogues as Dual Epidermal Growth Factor Receptor Kinase and Microtubule Inhibitors Journal of Medicinal Chemistry (2019) doi |
| A Metal-Binding Pharmacophore Library Yields the Discovery of a Glyoxalase 1 Inhibitor Journal of Medicinal Chemistry (2019) doi |
| Discovery of Selective Toxoplasma gondii Dihydrofolate Reductase Inhibitors for the Treatment of Toxoplasmosis Journal of Medicinal Chemistry (2019) doi |
| Potent combretastatin A-4 analogs containing 1,2,4-triazole: Synthesis, antiproliferative, anti-tubulin activity, and docking study European Journal of Medicinal Chemistry 183 (2019) 111697 doi |
| Design, synthesis and biological evaluation of N-(3-(1H-tetrazol-1-yl)phenyl)isonicotinamide derivatives as novel xanthine oxidase inhibitors European Journal of Medicinal Chemistry 183 (2019) 111717 doi |
| Design, synthesis and structure–activity relationship of indolylindazoles as potent and selective covalent inhibitors of interleukin-2 inducible T-cell kinase (ITK) European Journal of Medicinal Chemistry (2019) 111918 doi |
| Conjugable A3 adenosine receptor antagonists for the development of functionalized ligands and their use in fluorescent probes European Journal of Medicinal Chemistry (2019) 111886 doi |
| Substituted 4-phenylthiazoles: Development of potent and selective A1, A3 and dual A1/A3 adenosine receptor antagonists European Journal of Medicinal Chemistry (2019) 111879 doi |
| Discovery of phosphonamidate IDO1 inhibitors for the treatment of non-small cell lung cancer European Journal of Medicinal Chemistry 182 (2019) 111629 doi |
| Battle tactics against MMP-9; discovery of novel non-hydroxamate MMP-9 inhibitors endowed with PI3K/AKT signaling attenuation and caspase 3/7 activation via Ugi bis-amide synthesis European Journal of Medicinal Chemistry (2019) 111875 doi |
| Design, synthesis, in-vitro, in-vivo and in-silico studies of pyrrolidine-2,5-dione derivatives as multitarget anti-inflammatory agents European Journal of Medicinal Chemistry (2019) 111863 doi |
| New anthranilic acid-incorporating N-benzenesulfonamidophthalimides as potent inhibitors of carbonic anhydrases I, II, IX, and XII: Synthesis, in vitro testing, and in silico assessment European Journal of Medicinal Chemistry 181 (2019) 111573 doi |
| Structure-activity relationships of thiazole and benzothiazole derivatives as selective cannabinoid CB2 agonists with in vivo anti-inflammatory properties European Journal of Medicinal Chemistry 180 (2019) 154-170 doi |
| Role of sulphur-heterocycles in medicinal chemistry: An update European Journal of Medicinal Chemistry 180 (2019) 486-508 doi |
| Synthesis and structure activity relationship of 1, 3-benzo-thiazine-2-thiones as selective HDAC8 inhibitors European Journal of Medicinal Chemistry (2019) 111756 doi |
| Novel potent substituted 4-amino-2-thiopyrimidines as dual VEGFR-2 and BRAF kinase inhibitors European Journal of Medicinal Chemistry 179 (2019) 707-722 doi |
| Synthesis, in vitro biological evaluation and in silico studies of certain arylnicotinic acids conjugated with aryl (thio)semicarbazides as a novel class of anti-leishmanial agents European Journal of Medicinal Chemistry 179 (2019) 335-346 doi |
| Anti-hepatitis-C virus activity and QSAR study of certain thiazolidinone and thiazolotriazine derivatives as potential NS5B polymerase inhibitors European Journal of Medicinal Chemistry (2019) 111747 doi |
| Design, synthesis and biological evaluation of novel FFA1/GPR40 agonists: New breakthrough in an old scaffold European Journal of Medicinal Chemistry 179 (2019) 608-622 doi |
| Identification and characterization of a novel chemotype for human TLR8 inhibitors European Journal of Medicinal Chemistry 179 (2019) 744-752 doi |
| Evaluating the effects of fluorine on biological properties and metabolic stability of some antitubulin 3-substituted 7-phenyl-pyrroloquinolinones European Journal of Medicinal Chemistry 178 (2019) 297-314 doi |
| Identify liver X receptor β modulator building blocks by developing a fluorescence polarization-based competition assay European Journal of Medicinal Chemistry 178 (2019) 458-467 doi |
| Synthesis of coumarin-sulfonamide derivatives and determination of their cytotoxicity, carbonic anhydrase inhibitory and molecular docking studies European Journal of Medicinal Chemistry (2019) 111702 doi |
| Sulfide, sulfoxide and sulfone bridged acyclic nucleoside phosphonates as inhibitors of the Plasmodium falciparum and human 6-oxopurine phosphoribosyltransferases: Synthesis and evaluation European Journal of Medicinal Chemistry (2019) 111667 doi |
| Discovery of tissue selective liver X receptor agonists for the treatment of atherosclerosis without causing hepatic lipogenesis European Journal of Medicinal Chemistry (2019) 111647 doi |
| Design, synthesis and biological evaluation of a new series of thiazolyl-pyrazolines as dual EGFR and HER2 inhibitors European Journal of Medicinal Chemistry (2019) 111648 doi |
| Discovery of potent 4-aminoquinoline hydrazone inhibitors of NRH:quinoneoxidoreductase-2 (NQO2) European Journal of Medicinal Chemistry (2019) 111649 doi |
| Synthesis and biological evaluation of novel xanthine derivatives as potential apoptotic antitumor agents European Journal of Medicinal Chemistry 176 (2019) 117-128 doi |
| Benzothienoquinazolinones as new multi-target scaffolds: Dual inhibition of human Topoisomerase I and tubulin polymerization European Journal of Medicinal Chemistry (2019) 111583 doi |
| Design, synthesis and biological evaluation of novel vicinal diaryl-substituted 1H-Pyrazole analogues of combretastatin A-4 as highly potent tubulin polymerization inhibitors European Journal of Medicinal Chemistry (2019) 111577 doi |
| Synthesis, biological evaluation, and docking studies of new raloxifene sulfonate or sulfamate derivatives as inhibitors of nucleotide pyrophosphatase/phosphodiesterase European Journal of Medicinal Chemistry (2019) doi |
| Identification of ebselen as a potent inhibitor of insulin degrading enzyme by a drug repurposing screening European Journal of Medicinal Chemistry (2019) doi |
| Design, synthesis and in vitro evaluation of 6-amide-2-aryl benzoxazole/benzimidazole derivatives against tumor cells by inhibiting VEGFR-2 kinase European Journal of Medicinal Chemistry (2019) doi |
| Synthesis and biological evaluation of pyridazinone derivatives as selective COX-2 inhibitors and potential anti-inflammatory agents European Journal of Medicinal Chemistry 171 (2019) 25-37 doi |
| Design, synthesis and biological evaluation of novel uracil derivatives bearing 1, 2, 3-triazole moiety as thymidylate synthase (TS) inhibitors and as potential antitumor drugs European Journal of Medicinal Chemistry 171 (2019) 282-296 doi |
| Inhibiting protein-protein interactions of Hsp90 as a novel approach for targeting cancer European Journal of Medicinal Chemistry (2019) doi |
| Synthesis and biological evaluation of 5-aminoethyl benzophenanthridone derivatives as DNA topoisomerase IB inhibitors European Journal of Medicinal Chemistry (2019) doi |
| Lipophilic efficient phenylthiazoles with potent undecaprenyl pyrophosphatase inhibitory activity European Journal of Medicinal Chemistry (2019) doi |
| Synthesis, structure-activity relationship studies and biological characterization of new [1,2,4]triazolo[1,5-a]pyrimidine-based LSD1/KDM1A inhibitors European Journal of Medicinal Chemistry 167 (2019) 388-401 doi |
| Synthesis and biological evaluation of tryptophan-derived rhodanine derivatives as PTP1B inhibitors and anti-bacterial agents European Journal of Medicinal Chemistry (2019) doi |
| Discovery of 7H-pyrrolo[2,3-d]pyrimidine derivatives as selective covalent irreversible inhibitors of interleukin-2-inducible T-cell kinase (Itk) European Journal of Medicinal Chemistry (2019) doi |
| Probing structural requirements for human topoisomerase I inhibition by a novel N1-Biphenyl fluoroquinolone European Journal of Medicinal Chemistry (2019) doi |
| Novel benzenesulfonamide and 1,2-benzisothiazol-3(2H)-one-1,1-dioxide derivatives as potential selective COX-2 inhibitors European Journal of Medicinal Chemistry (2019) doi |
| 2,4-Disubstituted quinazolines targeting breast cancer cells via EGFR-PI3K European Journal of Medicinal Chemistry (2019) doi |
| Antimicrobial and KPC/AmpC inhibitory activity of functionalized benzosiloxaboroles European Journal of Medicinal Chemistry (2019) doi |
| Design, synthesis and anti-bacterial studies of piperazine derivatives against drug resistant bacteria European Journal of Medicinal Chemistry 166 (2019) 224-231 doi |
| Anticancer activity, dual prooxidant/antioxidant effect and apoptosis induction profile of new bichalcophene-5-carboxamidines European Journal of Medicinal Chemistry (2019) doi |
| Design, synthesis and docking study of novel picolinamide derivatives as anticancer agents and VEGFR-2 inhibitors European Journal of Medicinal Chemistry (2019) doi |
| New 4-phenylcoumarin derivatives as potent 3C protease inhibitors: Design, synthesis, anti-HAV effect and molecular modeling European Journal of Medicinal Chemistry (2019) doi |
| Shooting three inflammatory targets with a single bullet: Novel multi-targeting anti-inflammatory glitazones European Journal of Medicinal Chemistry (2019) doi |
| Discovery of deshydroxy bicalutamide derivatives as androgen receptor antagonists European Journal of Medicinal Chemistry (2019) doi |
| Synthesis, in silico experiments and biological evaluation of 1,3,4-trisubstituted pyrazole derivatives as antimalarial agents European Journal of Medicinal Chemistry 163 (2019) 353-366 doi |
| Discovery of a highly selective FLT3 inhibitor with specific proliferation inhibition against AML cells harboring FLT3-ITD mutation European Journal of Medicinal Chemistry 163 (2019) 195-206 doi |
| Pros and cons of virtual screening based on public “Big Data”: In silico mining for new bromodomain inhibitors European Journal of Medicinal Chemistry (2019) doi |
| Optimization of a fragment linking hit toward Dengue and Zika virus NS5 methyltransferases inhibitors European Journal of Medicinal Chemistry 161 (2019) 323-333 doi |
| Computer-aided design, synthesis and biological characterization of novel inhibitors for PKMYT1 European Journal of Medicinal Chemistry 161 (2019) 479-492 doi |
| Identification of potential antivirulence agents by substitution-oriented screening for inhibitors of Streptococcus pyogenes sortase A European Journal of Medicinal Chemistry 161 (2019) 93-100 doi |
| Exploring biological efficacy of coumarin clubbed thiazolo[3,2–b][1,2,4]triazoles as efficient inhibitors of urease: A biochemical and in silico approach International Journal of Biological Macromolecules (2019) doi |
| Exploring the molecular mechanism of the effect of puerarin on P2X3 International Journal of Biological Macromolecules (2019) doi |
| Novel GH-20 β-N-Acetylglucosaminidase Inhibitors: Virtual Screening, Molecular Docking, Binding Affinity, and Anti-tumor Activity International Journal of Biological Macromolecules (2019) doi |
| Crystal structure and ligand identification of odorant binding protein 4 in the natural predator Chrysopa pallens International Journal of Biological Macromolecules (2019) doi |
| Development of multi-epitope driven subunit vaccine against Fasciola gigantica using immunoinformatics approach International Journal of Biological Macromolecules (2019) doi |
| Crystal structure of CntK, the cofactor-independent histidine racemase in staphylopine-mediated metal acquisition of Staphylococcus aureus International Journal of Biological Macromolecules (2019) doi |
| Structural insights into the substrate binding mechanism of novel ArgA from Mycobacterium tuberculosis International Journal of Biological Macromolecules 125 (2019) 970-978 doi |
| Novel BTK inhibitor acalabrutinib (ACP-196) tightly binds to site I of the human serum albumin as observed by spectroscopic and computational studies International Journal of Biological Macromolecules (2019) doi |
| Improved algorithms for quantifying the near symmetry of proteins: complete side chains analysis Journal of Cheminformatics 11 (1) (2019) 39 doi |
| Leveraging heterogeneous data from GHS toxicity annotations, molecular and protein target descriptors and Tox21 assay readouts to predict and rationalise acute toxicity Journal of Cheminformatics 11 (1) (2019) 36 doi |
| Universal nanohydrophobicity predictions using virtual nanoparticle library Journal of Cheminformatics 11 (1) (2019) 6 doi |
| A new antiviral scaffold for human norovirus identified with computer-aided approaches on the viral polymerase Scientific Reports 9 (1) (2019) 18413 doi |
| Dual Action of Sulfated Hyaluronan on Angiogenic Processes in Relation to Vascular Endothelial Growth Factor-A Scientific Reports 9 (1) (2019) 18143 doi |
| Activation of PXR by alantolactone ameliorates DSS-induced experimental colitis via suppressing NF-κB signaling pathway Scientific Reports 9 (1) (2019) 16636 doi |
| Comprehensive in vitro characterization of PD-L1 small molecule inhibitors Scientific Reports 9 (1) (2019) 12392 doi |
| Support Vector Machine model for hERG inhibitory activities based on the integrated hERG database using descriptor selection by NSGA-II Scientific Reports 9 (1) (2019) 12220 doi |
| Structure-based identification of a potential non-catalytic binding site for rational drug design in the fructose 1,6-biphosphate aldolase from Giardia lamblia Scientific Reports 9 (1) (2019) 11779 doi |
| Tubulin response to intense nanosecond-scale electric field in molecular dynamics simulation Scientific Reports 9 (1) (2019) 10477 doi |
| Discovery of novel oestrogen receptor α agonists and antagonists by screening a revisited privileged structure moiety for nuclear receptors Scientific Reports 9 (1) (2019) 9954 doi |
| Cytotoxic unsaturated electrophilic compounds commonly target the ubiquitin proteasome system Scientific Reports 9 (1) (2019) 9841 doi |
| Identification of small molecule enzyme inhibitors as broad-spectrum anthelmintics Scientific Reports 9 (1) (2019) 9085 doi |
| Structural, functional, and stability change predictions in human telomerase upon specific point mutations Scientific Reports 9 (1) (2019) 8707 doi |
| Failure of Oxysterols Such as Lanosterol to Restore Lens Clarity from Cataracts Scientific Reports 9 (1) (2019) 8459 doi |
| Association of BUD13-ZNF259-APOA5-APOA1-SIK3 cluster polymorphism in 11q23.3 and structure of APOA5 with increased plasma triglyceride levels in a Korean population Scientific Reports 9 (1) (2019) 8296 doi |
| Protein kinase A inhibits tumor mutator APOBEC3B through phosphorylation Scientific Reports 9 (1) (2019) 8307 doi |
| Network pharmacology-based identifcation of potential targets of the flower of Trollius chinensis Bunge acting on anti-inflammatory effectss Scientific Reports 9 (1) (2019) 8109 doi |
| A structural and biochemical comparison of Ribonuclease E homologues from pathogenic bacteria highlights species-specific properties Scientific Reports 9 (1) (2019) 7952 doi |
| Predicting protein-ligand interactions based on bow-pharmacological space and Bayesian additive regression trees Scientific Reports 9 (1) (2019) 7703 doi |
| Identification of Allosteric Inhibitors against Active Caspase-6 Scientific Reports 9 (1) (2019) 5504 doi |
| A decade of sustained selection pressure on two surface sites of the VP1 protein of Enterovirus A71 suggests that immune evasion may be an indirect driver for virulence Scientific Reports 9 (1) (2019) 5427 doi |
| Chiral phenoxyacetic acid analogues inhibit colon cancer cell proliferation acting as PPARγ partial agonists Scientific Reports 9 (1) (2019) 5434 doi |
| Merits and pitfalls of conventional and covalent docking in identifying new hydroxyl aryl aldehyde like compounds as human IRE1 inhibitors Scientific Reports 9 (1) (2019) 3407 doi |
| Novel mutations in the kinase domain of BCR-ABL gene causing imatinib resistance in chronic myeloid leukemia patients Scientific Reports 9 (1) (2019) 2412 doi |
| A potential peptide derived from cytokine receptors can bind proinflammatory cytokines as a therapeutic strategy for anti-inflammation Scientific Reports 9 (1) (2019) 2317 doi |
| The mechanism of bensulfuron-methyl complexation with β-cyclodextrin and 2-hydroxypropyl-β-cyclodextrin and effect on soil adsorption and bio-activity Scientific Reports 9 (1) (2019) 1882 doi |
| Computational screening of medicinal plant phytochemicals to discover potent pan-serotype inhibitors against dengue virus Scientific Reports 9 (1) (2019) 1433 doi |
| Pharmacophore-guided discovery of CDC25 inhibitors causing cell cycle arrest and tumor regression Scientific Reports 9 (1) (2019) 1335 doi |
| Discovering highly selective and diverse PPAR-delta agonists by ligand based machine learning and structural modeling Scientific Reports 9 (1) (2019) 1106 doi |
| A Rational Approach for Creating Peptides Mimicking Antibody Binding Scientific Reports 9 (1) (2019) 997 doi |
| Transport of Anthocyanins and other Flavonoids by the Arabidopsis ATP-Binding Cassette Transporter AtABCC2 Scientific Reports 9 (1) (2019) 437 doi |
| Purification and Characterization of a Nonspecific Lipid Transfer Protein 1 (nsLTP1) from Ajwain (Trachyspermum ammi) Seeds Scientific reports 9 (1) (2019) 4148-4148 doi |
| From biomedicinal to in silico models and back to therapeutics: a review on the advancement of peptidic modeling Future Medicinal Chemistry 11 (17) (2019) 2313-2331 doi |
| New pyrimidines and triazolopyrimidines as antiproliferative and antioxidants with cyclooxygenase-1/2 inhibitory potential Future Medicinal Chemistry 11 (13) (2019) 1583-1603 doi |
| Novel [1,2,3]triazolo[1,5-a]pyridine derivatives are trypanocidal by sterol biosynthesis pathway alteration Future Medicinal Chemistry 11 (10) (2019) 1137-1155 doi |
| Identification of novel monoamine oxidase selective inhibitors employing a hierarchical ligand-based virtual screening strategy Future Medicinal Chemistry 11 (8) (2019) 801-816 doi |
| Visnagin and benzofuran scaffold-based molecules as selective cyclooxygenase-2 inhibitors with anti-inflammatory and analgesic properties: design, synthesis and molecular docking Future Medicinal Chemistry (2019) doi |
| Molecular modeling and biological studies show that some μ-opioid receptor agonists might elicit analgesia acting as MMP-9 inhibitors Future Medicinal Chemistry (2019) doi |
| Divergent de novo synthesis of 2,4,5-trideoxyhexopyranosides derivatives of podophyllotoxin as anticancer agents Future Medicinal Chemistry (2019) doi |
| New ibuprofen derivatives as H2S and NO donors as safer anti-inflammatory agents Future Medicinal Chemistry (2019) doi |
| Machine Learning Based Predictive Modeling of Glass Transition Temperatures: A Case of Polyhydroxyalkanoate Homo- and Co-polymers Journal of Chemical Information and Modeling (2019) doi |
| Investigation of Crystal Structures in Structure-Based Virtual Screening for Protein Kinase Inhibitors Journal of Chemical Information and Modeling (2019) doi |
| A Fragment-Based Computational Method for Designing GPCR Ligands Journal of Chemical Information and Modeling (2019) doi |
| ADMET Evaluation in Drug Discovery. 19. Reliable Prediction of Human Cytochrome P450 Inhibition Using Artificial Intelligence Approaches Journal of Chemical Information and Modeling (2019) doi |
| Prediction of CYP450 Enzyme-Substrate Selectivity Based on the Network-based Label Space Division Method Journal of Chemical Information and Modeling (2019) doi |
| Hydration of Aromatic Heterocycles as Adversary of π-Stacking Journal of Chemical Information and Modeling (2019) doi |
| A Comparative Linear Interaction Energy and MM/PBSA Study on SIRT1–Ligand Binding Free Energy Calculation Journal of Chemical Information and Modeling (2019) doi |
| Prediction and Experimental Confirmation of Novel Peripheral Cannabinoid-1 Receptor Antagonists Journal of Chemical Information and Modeling (2019) doi |
| Structural Analysis and Identification of Colloidal Aggregators in Drug Discovery Journal of Chemical Information and Modeling (2019) doi |
| In Silico Prediction of Human Intravenous Pharmacokinetic Parameters with Improved Accuracy Journal of Chemical Information and Modeling (2019) doi |
| Exploring Chemical and Biological Space of Terpenoids Journal of Chemical Information and Modeling (2019) doi |
| Gain-of-Function SHP2 E76Q Mutant Rescuing Autoinhibition Mechanism Associated with Juvenile Myelomonocytic Leukemia Journal of Chemical Information and Modeling (2019) doi |
| Structurally selective mechanism of liver X receptor ligand: in silico and in vitro studies Journal of Chemical Information and Modeling (2019) doi |
| Ligity: A Non-Superpositional, Knowledge-Based Approach to Virtual Screening Journal of Chemical Information and Modeling (2019) doi |
| Rescoring Virtual Screening Results with the MM-PBSA Methods: Beware of Internal Dielectric Constants Journal of Chemical Information and Modeling (2019) doi |
| Conformation and Permeability: Cyclic Hexapeptide Diastereomers Journal of Chemical Information and Modeling (2019) doi |
| Optimization and Evaluation of the Site-Identification by Ligand Competitive Saturation (SILCS) as a Tool for Target-Based Ligand Optimization Journal of Chemical Information and Modeling (2019) doi |
| In silico Characterization of Structural Distinctions Between Isoforms of Human and Mouse Sphingosine Kinases for Accelerating Drug Discovery Journal of Chemical Information and Modeling (2019) doi |
| Mechanisms Underlying Allosteric Molecular Switches of Metabotropic Glutamate Receptor 5 Journal of Chemical Information and Modeling (2019) doi |
| Exploring the Pyrazinamide Drug Resistance Mechanism of Clinical Mutants T370P and W403G in Ribosomal Protein S1 of Mycobacterium Tuberculosis Journal of Chemical Information and Modeling (2019) doi |
| An Improved Method of Structure-based Virtual Screening via Interaction-energy-based Learning Journal of Chemical Information and Modeling (2019) doi |
| Quantitative Structure-Price Relationships (QS$R) Modeling and the Development of Economically Feasible Drug Discovery Projects Journal of Chemical Information and Modeling (2019) doi |
| Ranking Reversible Covalent Drugs: From Free Energy Perturbation to Fragment Docking Journal of Chemical Information and Modeling (2019) doi |
| Conformator: A Novel Method for the Generation of Conformer Ensembles Journal of Chemical Information and Modeling (2019) doi |
| Deep Learning-based Prediction of Drug-induced Cardiotoxicity Journal of Chemical Information and Modeling (2019) doi |
| In silico Modeling of PROTAC-Mediated Ternary Complexes: Validation and Application Journal of Chemical Information and Modeling (2019) doi |
| BCL::MolAlign: Three-Dimensional Small Molecule Alignment for Pharmacophore Mapping Journal of Chemical Information and Modeling (2019) doi |
| New Pyridazine Derivatives as Selective COX-2 Inhibitors and Potential Anti-inflammatory Agents; Design, Synthesis and Biological Evaluation Bioorganic Chemistry (2019) 103497 doi |
| New phosphazine and phosphazide derivatives as multifunctional ligands targeting acetylcholinesterase and β-Amyloid aggregation for treatment of Alzheimer's disease Bioorganic Chemistry (2019) 103499 doi |
| Design, synthesis and evaluation of the antibacterial activity of new Linezolid dipeptide-type analogues Bioorganic Chemistry (2019) 103483 doi |
| Robust therapeutic potential of carbazole-triazine hybrids as a new class of urease inhibitors: A distinctive combination of nitrogen-containing heterocycles Bioorganic Chemistry (2019) 103479 doi |
| Design, Molecular Modeling and Anticancer Evaluation of Thieno[2,3-d]pyrimidine Derivatives as Inhibitors of Topoisomerase II Bioorganic Chemistry (2019) 103492 doi |
| Introducing of acyclonucleoside analogues tethered 1,2,4-triazole as anticancer agents with dual epidermal growth factor receptor kinase and microtubule inhibitors Bioorganic Chemistry (2019) 103446 doi |
| New imidazolone derivatives comprising a benzoate or sulfonamide moiety as anti-inflammatory and antibacterial inhibitors: Design, synthesis, selective COX-2, DHFR and molecular-modeling study Bioorganic Chemistry (2019) 103438 doi |
| Synthesis of 1,2,4-triazolo[1,5-a]pyrimidine derivatives: Antimicrobial activity, DNA Gyrase inhibition and molecular docking Bioorganic Chemistry (2019) 103411 doi |
| Diversity of complexes based on p-nitrobenzoylhydrazide, benzoylformic acid and diorganotin halides or oxides self-assemble: cytotoxicity, the induction of apoptosis in cancer cells and DNA-binding properties Bioorganic Chemistry (2019) 103402 doi |
| Synthesis and biological evaluation of New Chloro / Acetoxy Substituted Isoindole Analogues as new tyrosine kinase inhibitors Bioorganic Chemistry (2019) 103421 doi |
| Design and synthesis of novel pyridazinoquinazoline derivatives as potent VEGFR-2 inhibitors: In vitro and in vivo study Bioorganic Chemistry 92 (2019) 103251 doi |
| First example of Azo-Sulfa conjugated chromene moieties: Synthesis, characterization, antimicrobial assessment, docking simulation as potent class I histone deacetylase inhibitors and antitumor agents Bioorganic Chemistry 92 (2019) 103262 doi |
| New triazinoindole bearing thiazole/oxazole analogues: Synthesis, α-amylase inhibitory potential and molecular docking study Bioorganic Chemistry 92 (2019) 103284 doi |
| Synthesis, In vitro α-Amylase Inhibitory, and Radicals (DPPH & ABTS) Scavenging Potentials of New N-Sulfonohydrazide Substituted Indazoles Bioorganic Chemistry (2019) 103410 doi |
| Synthesis, characterization and molecular docking of some novel hydrazonothiazolines as urease inhibitors Bioorganic Chemistry (2019) 103404 doi |
| Novel 2-Arylbenzothiazole DNA Gyrase Inhibitors: Synthesis, Antimicrobial Evaluation, QSAR and Molecular Docking Studies Bioorganic Chemistry (2019) 103373 doi |
| Synthesis, in vitro alpha-glucosidase inhibitory potential of benzimidazole bearing bis-Schiff bases and their molecular docking study Bioorganic Chemistry (2019) 103394 doi |
| Atenolol thiourea hybrid as potent urease inhibitors: Design, biology-oriented drug synthesis, inhibitory activity screening, and molecular docking studies Bioorganic Chemistry (2019) 103359 doi |
| Design, Synthesis, Cytotoxicity Screening and Molecular Docking of New 3-Cyanopyridines as Survivin inhibitors and Apoptosis Inducers Bioorganic Chemistry (2019) 103358 doi |
| New quinoline-2-one/pyrazole Derivatives; Design, Synthesis, Molecular Docking, Anti-apoptotic Evaluation, and Caspase-3 Inhibition Assay Bioorganic Chemistry (2019) 103348 doi |
| Towards Breast Cancer Targeting: Synthesis of Tetrahydroindolocarbazoles, Antibreast Cancer Evaluation, uPA Inhibition, Molecular Genetic and Molecular Modelling Studies Bioorganic Chemistry (2019) 103332 doi |
| Design, synthesis, anticancer evaluation and docking studies of new pyrimidine derivatives as potent thymidylate synthase inhibitors Bioorganic Chemistry 91 (2019) 103159 doi |
| Design, synthesis, molecular modeling and anti-hyperglycemic evaluation of phthalimide-sulfonylurea hybrids as PPARγ and SUR agonists Bioorganic Chemistry 91 (2019) 103115 doi |
| Design, synthesis andbiological evaluation ofsome new 1,3,4-thiadiazine-thiourea derivatives as potential antitumor agents against Non-Small Cell Lung Cancer cells Bioorganic Chemistry (2019) 103323 doi |
| Design, synthesis, in vitro and in vivo evaluation of novel pyrrolizine-based compounds with potential activity as cholinesterase inhibitors and anti-Alzheimer's agents Bioorganic Chemistry (2019) 103312 doi |
| Synthesis and biological evaluation of tetrazole derivatives as TNF-α, IL-6 and COX-2 inhibitors with antimicrobial activity: computational analysis, molecular modeling study and region-specific cyclization using 2D NMR tools Bioorganic Chemistry (2019) 103301 doi |
| Rational design of some substituted phenyl azanediyl (bis) methylene phosphonic acid derivatives as potential anticancer agents and imaging probes: Computational inputs, Chemical synthesis, Radiolabeling, Biodistribution and Gamma scintigraphy Bioorganic Chemistry (2019) 103282 doi |
| Synthesis and biological evaluation of thiazolidine-2,4-dione-pyrazole conjugates as antidiabetic, anti-inflammatory and antioxidant agents Bioorganic Chemistry (2019) 103271 doi |
| Design, Synthesis, and Biological Activity of Plastoquinone Analogs as a New Class of Anticancer Agents Bioorganic Chemistry (2019) 103255 doi |
| NO inhibitory diterpenoids as potential anti-inflammatory agents from Euphorbia antiquorum Bioorganic Chemistry (2019) 103237 doi |
| Synthesis and anticancer activity of bis-benzo[d][1,3]dioxol-5-yl thiourea derivatives with molecular docking study Bioorganic Chemistry 90 (2019) 103088 doi |
| Discovery of a novel DNA binding agent via design and synthesis of new thiazole hybrids and fused 1,2,4-triazines as potential antitumor agents: Computational, spectrometric and in silico studies Bioorganic Chemistry 90 (2019) 103089 doi |
| Synthesis and comparative carbonic anhydrase inhibition of new Schiff’s bases incorporating benzenesulfonamide, methanesulfonamide, and methylsulfonylbenzene scaffolds Bioorganic Chemistry (2019) 103225 doi |
| New pyrimidine-benzoxazole/benzimidazole hybrids: Synthesis, Antioxidant, Cytotoxic Activity, in vitro Cyclooxygenase and phospholipase A2-V Inhibition Bioorganic Chemistry (2019) 103218 doi |
| Synthesis, In-Vitro Cholinesterase Inhibition, In-Vivo Anticonvulsant Activity and In-Silico Exploration of N-(4-Methylpyridin-2-yl)thiophene-2-carboxamide Analogs Bioorganic Chemistry (2019) 103216 doi |
| Synthesis of new indazole based dual inhibitors of α-glucosidase and α-amylase enzymes, their in vitro, in silico and kinetics studies Bioorganic Chemistry (2019) 103195 doi |
| Design and evaluation of non-carboxylate 5-arylidene-2-thioxo-4-imidazolidinones as novel non-competitive inhibitors of protein tyrosine phosphatase 1B Bioorganic Chemistry (2019) 103211 doi |
| Novel 3,4-Dihydro-4-oxoquinazoline-based Acetohydrazides: Design, Synthesis and Evaluation of Antitumor Cytotoxicity and Caspase Activation Activity Bioorganic Chemistry (2019) 103202 doi |
| Discovery of Michael Acceptor Containing 1,4-Dihydropyridines as First Covalent Inhibitors of L-/T-Type Calcium Channels Bioorganic Chemistry (2019) 103187 doi |
| New A2A adenosine receptor antagonists: A structure-based upside-down interaction in the receptor cavity Bioorganic Chemistry (2019) 103183 doi |
| Synthesis of novel (R)-4-fluorophenyl-1H-1,2,3-triazoles: A new class of α-glucosidase inhibitors Bioorganic Chemistry (2019) 103182 doi |
| Design, synthesis and anticervical cancer activity of new benzofuran–pyrazol-hydrazono- thiazolidin-4-one hybrids as potential EGFR inhibitors and apoptosis inducing agents Bioorganic Chemistry 89 (2019) 103035 doi |
| Design, synthesis and molecular modeling studies of new series of s-triazine derivatives as antimicrobial agents against multi-drug resistant clinical isolates Bioorganic Chemistry 89 (2019) 103013 doi |
| Synthesis, biological evaluation and molecular docking studies of novel 3,5-disubstituted 2,4-thiazolidinediones derivatives Bioorganic Chemistry 89 (2019) 102993 doi |
| Molecular docking and experimental investigation of new indole derivative cyclooxygenase inhibitor to probe its binding mechanism with bovine serum albumin Bioorganic Chemistry 89 (2019) 103010 doi |
| Synthesis, in vitro urease inhibitory potential and molecular docking study of Benzimidazole analogues Bioorganic Chemistry 89 (2019) 103024 doi |
| Design, synthesis and biological evaluation of Trinary Benzocoumarin-Thiazoles-Azomethines derivatives as Effective and Selective Inhibitors of Alkaline Phosphatase Bioorganic Chemistry (2019) 103137 doi |
| Synthesis, in-vitro α-glucosidase inhibition, antioxidant, in-vivo antidiabetic and molecular docking studies of pyrrolidine-2,5-dione and thiazolidine-2,4-dione derivatives Bioorganic Chemistry (2019) 103128 doi |
| Design, synthesis and biological evaluation of theophylline containing variant acetylene derivatives as α-amylase inhibitors Bioorganic Chemistry (2019) 103120 doi |
| Synthesis of new arylhydrazide bearing Schiff bases/thiazolidinone: α-amylase, urease activities and their molecular docking studies Bioorganic Chemistry (2019) 103112 doi |
| Design, synthesis, anticancer evaluation, molecular docking and cell cycle analysis of 3-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine derivatives as potent histone lysine demethylases (KDM) inhibitors and apoptosis inducers Bioorganic Chemistry 88 (2019) 102929 doi |
| Targeting hepatocellular carcinoma: Synthesis of new pyrazole-based derivatives, biological evaluation, DNA binding, and molecular modeling studies Bioorganic Chemistry 88 (2019) 102917 doi |
| Natural urease inhibitors from Aloe vera resin and Lycium shawii and their structural-activity relationship and molecular docking study Bioorganic Chemistry 88 (2019) 102955 doi |
| Synthesis, antitumor testing and molecular modeling study of some new 6-substituted amido, azo or thioureido-quinazolin-4(3H)-ones Bioorganic Chemistry 88 (2019) 102923 doi |
| Discovery of novel indole-based aroylhydrazones as anticonvulsants: pharmacophore-based design Bioorganic Chemistry (2019) 103028 doi |
| Investigation of potent inhibitors of cholinesterase based on thiourea and pyrazoline derivatives: Synthesis, inhibition assay and molecular modeling studies Bioorganic Chemistry (2019) 103036 doi |
| Design, synthesis of celecoxib-tolmetin drug hybrids as selective and potent COX-2 inhibitors Bioorganic Chemistry (2019) 103029 doi |
| 5-Thioxoimidazolidine-2-one derivatives: Synthesis, anti-inflammatory activity, analgesic activity, COX inhibition assay and molecular modelling study Bioorganic Chemistry 87 (2019) 679-687 doi |
| Natural flavonoid α-glucosidase inhibitors from Retama raetam: Enzyme inhibition and molecular docking reveal important interactions with the enzyme active site Bioorganic Chemistry 87 (2019) 736-742 doi |
| Antioxidant and angiotensin-converting enzyme (ACE) inhibitory activity of thymosin alpha-1 (Thα1) peptide Bioorganic Chemistry 87 (2019) 743-752 doi |
| Discovery of new inhibitors against both NF-κB and osteoclastogenesis from in-house library with α, β-unsaturated-enone fragment Bioorganic Chemistry 87 (2019) 638-646 doi |
| Novel chromanone-dithiocarbamate hybrids as multifunctional AChE inhibitors with β-amyloid anti-aggregation properties for the treatment of Alzheimer’s disease Bioorganic Chemistry (2019) 103027 doi |
| Design, Synthesis, Modeling Studies and Biological Screening of Novel Pyrazole Derivatives as Potential Analgesic and Anti-inflammatory Agents Bioorganic Chemistry (2019) 103023 doi |
| Synthesis, in vitro urease inhibitory potential and molecular docking study of Benzimidazole analogues Bioorganic Chemistry (2019) 103024 doi |
| Cytotoxic diterpenoids as potential anticancer agents from the twigs of Casearia kurzii Bioorganic Chemistry (2019) 102995 doi |
| Synthesis and In Vitro Anticancer Evaluation of Some Fused Indazoles, Quinazolines and Quinolines as Potential EGFR Inhibitors Bioorganic Chemistry (2019) 102985 doi |
| Design and synthesis of new benzoxazole/benzothiazole-phthalimide hybrids as antitumor-apoptotic agents Bioorganic Chemistry (2019) 102978 doi |
| Design, synthesis and molecular modeling studies on novel moxifloxacin derivatives as potential antibacterial and antituberculosis agents Bioorganic Chemistry (2019) 102965 doi |
| New thiazol-hydrazono-coumarin hybrids targeting human cervical cancer cells: Synthesis, CDK2 inhibition, QSAR and molecular docking studies Bioorganic Chemistry 86 (2019) 80-96 doi |
| Chlorinated tacrine analogs: Design, synthesis and biological evaluation of their anti-cholinesterase activity as potential treatment for Alzheimer’s disease Bioorganic Chemistry 86 (2019) 557-568 doi |
| Exploration of N-alkyl-2-[(4-oxo-3-(4-sulfamoylphenyl)-3,4-dihydroquinazolin-2-yl)thio]acetamide derivatives as anticancer and radiosensitizing agents Bioorganic Chemistry (2019) 102956 doi |
| Design, synthesis and anticancer evaluation of thieno[2,3-d]pyrimidine derivatives as dual EGFR/HER2 inhibitors and apoptosis inducers Bioorganic Chemistry (2019) 102944 doi |
| Discovery and Development of 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic Acid Derivatives as Bcl-2/Mcl-1 Inhibitors Bioorganic Chemistry (2019) 102938 doi |
| Synthesis and molecular docking study of Some 3,4-Dihydrothieno[2,3-d]pyrimidine Derivatives as Potential Antimicrobial Agents Bioorganic Chemistry (2019) 102934 doi |
| Vieloplains A-G, seven new guaiane-type sesquiterpenoid dimers from Xylopia vielana Bioorganic Chemistry (2019) doi |
| Probing the high potency of pyrazolyl pyrimidinetriones and thioxopyrimidinediones as selective and efficient non-nucleotide inhibitors of recombinant human ectonucleotidases Bioorganic Chemistry (2019) doi |
| Synthesis And Biological Evaluation of Purine-Pyrazole Hybrids Incorporating Thiazole, Thiazolidinone or Rhodanine Moiety as 15-LOX Inhibitors Endowed with Anticancer And Antioxidant Potential Bioorganic Chemistry (2019) doi |
| Design and synthesis of novel PARP-1 inhibitors based on pyridopyridazinone scaffold Bioorganic Chemistry (2019) doi |
| Withanolides from Physalis peruviana showing nitric oxide inhibitory effects and affinities with iNOS Bioorganic Chemistry (2019) doi |
| Design, Synthesis, and Carbonic Anhydrase Inhibition Activity of Benzenesulfonamide-Linked Novel Pyrazoline Derivatives Bioorganic Chemistry (2019) doi |
| Novel 8-amino-1,2,4-triazolo[4,3-a]pyrazin-3-one derivatives as potent human adenosine A1 and A2A receptor antagonists. Evaluation of their protective effect against β-amyloid-induced neurotoxicity in SH-SY5Y cells Bioorganic Chemistry (2019) doi |
| NO inhibitory phytochemicals as potential anti-inflammatory agents from the twigs of Trigonostemon heterophyllus Bioorganic Chemistry (2019) doi |
| Bioactive terpenoids from Euonymus verrucosus var. pauciflorus showing NO inhibitory activities Bioorganic Chemistry (2019) doi |
| Promising anti-inflammatory effects of chalcones via inhibition of cyclooxygenase, prostaglandin E2, inducible NO synthase and nuclear factor κB activities Bioorganic Chemistry (2019) doi |
| Investigation of new quinoline derivatives as promising inhibitors of NTPDases: Synthesis, SAR analysis and molecular docking studies Bioorganic Chemistry (2019) doi |
| Synthesis, Modeling and Biological Evaluation of Some Pyrazolo[3,4-d]pyrimidinones and Pyrazolo[4,3-e][1,2,4]triazolo[4,3-a]pyrimidinones as Anti-inflammatory Agents Bioorganic Chemistry (2019) doi |
| Novel nalidixic acid derivatives targeting topoisomerase II enzyme; Design, synthesis, anticancer activity and effect on cell cycle profile Bioorganic Chemistry 83 (2019) 262-276 doi |
| 1,4-Dihydroquinazolin-3(2H)-yl benzamide derivatives as anti-inflammatory and analgesic agents with an improved gastric profile: Design, synthesis, COX-1/2 inhibitory activity and molecular docking study Bioorganic Chemistry 84 (2019) 76-86 doi |
| Synthesis and Characterization of CAPE Derivatives as Xanthine Oxidase Inhibitors with Radical Scavenging Properties Bioorganic Chemistry (2019) doi |
| Pyrazoles containing thiophene, thienopyrimidine and thienotriazolopyrimidine as COX-2 selective inhibitors: Design, synthesis, in vivo anti-inflammatory activity, docking and in silico chemo-informatic studies Bioorganic Chemistry (2019) doi |
| Anti-inflammatory Drug Approach: Synthesis and Biological Evaluation of Novel Pyrazolo[3,4-d]pyrimidine Compounds Bioorganic Chemistry (2019) doi |
| Cytotoxic clerodane diterpenoids from the leaves of Casearia kurzii Bioorganic Chemistry (2019) doi |
| Synthesis and in vitro urease inhibitory activity of benzohydrazide derivatives, in silico and kinetic studies Bioorganic Chemistry 82 (2019) 163-177 doi |
| COX-1/COX-2 inhibition assays and histopathological study of the new designed anti-inflammatory agent with a pyrazolopyrimidine core Bioorganic Chemistry (2019) doi |
| Discovery of novel chalcone-dithiocarbamates as ROS-mediated apoptosis inducers by inhibiting catalase Bioorganic Chemistry (2019) doi |
| Design, synthesis, molecular docking and biological activity evaluation of some novel indole derivatives as potent anticancer active agents and apoptosis inducers Bioorganic Chemistry (2019) doi |
| Targeting Microbial Resistance: Synthesis, Antibacterial Evaluation, DNA Binding and Modeling Study of New Chalcone-Based Dithiocarbamate Derivatives Bioorganic Chemistry (2019) doi |
| Synthesis, anticancer effect and molecular modeling of new thiazolopyrazolyl coumarin derivatives targeting VEGFR-2 kinase and inducing cell cycle arrest and apoptosis Bioorganic Chemistry (2019) doi |
| Prediction of P-glycoprotein inhibitors with machine learning classification models and 3D-RISM-KH theory based solvation energy descriptors Journal of Computer-Aided Molecular Design (2019) doi |
| The role of hydration effects in 5-fluorouridine binding to SOD1: insight from a new 3D-RISM-KH based protocol for including structural water in docking simulations Journal of Computer-Aided Molecular Design (2019) doi |
| Computational methods and tools for binding site recognition between proteins and small molecules: from classical geometrical approaches to modern machine learning strategies Journal of Computer-Aided Molecular Design (2019) doi |
| Assessing and improving the performance of consensus docking strategies using the DockBox package Journal of Computer-Aided Molecular Design (2019) doi |
| Evaluation of different virtual screening strategies on the basis of compound sets with characteristic core distributions and dissimilarity relationships Journal of Computer-Aided Molecular Design (2019) doi |
| A benchmark study of loop modeling methods applied to G protein-coupled receptors Journal of Computer-Aided Molecular Design (2019) doi |
| Predicting skin permeability using the 3D-RISM-KH theory based solvation energy descriptors for a diverse class of compounds Journal of Computer-Aided Molecular Design (2019) doi |
| Discovery of novel inhibitors of human galactokinase by virtual screening Journal of Computer-Aided Molecular Design (2019) doi |
| AZT acts as an anti-influenza nucleotide triphosphate targeting the catalytic site of A/PR/8/34/H1N1 RNA dependent RNA polymerase Journal of Computer-Aided Molecular Design (2019) doi |
| In Vitro and In Silico Evaluation of Bikaverin as a Potent Inhibitor of Human Protein Kinase CK2 Molecules 24 (7) (2019) doi |
| New Quinoline-Based Heterocycles as Anticancer Agents Targeting Bcl-2 Molecules 24 (7) (2019) doi |
| Potent in Vitro α-Glucosidase Inhibition of Secondary Metabolites Derived from Dryopteris cycadina Molecules 24 (3) (2019) doi |
| Derivatives of 3-Aminopyrazine-2-carboxamides: Synthesis, Antimicrobial Evaluation, and in Vitro Cytotoxicity Molecules 24 (2019) 1212 doi |
| Design, Synthesis, Anticancer Evaluation and Molecular Modeling of Novel Estrogen Derivatives Molecules 24 (3) (2019) doi |
| P-glycoprotein Inhibitor Tariquidar Potentiates Efficacy of Astragaloside IV in Experimental Autoimmune Encephalomyelitis Mice Molecules 24 (3) (2019) doi |
| Vasodilation Elicited by Isoxsuprine, Identified by High-Throughput Virtual Screening of Compound Libraries, Involves Activation of the NO/cGMP and H2S/KATP Pathways and Blockade of α1-Adrenoceptors and Calcium Channels Molecules 24 (5) (2019) doi |
| Structure-Based Design, Synthesis, and Biological Evaluation of Triazole-Based smHDAC8 Inhibitors ChemMedChem n/a (n/a) (2019) doi |
| Potential Targets of Actein Identified by Systems Chemical Biology Methods ChemMedChem n/a (n/a) (2019) doi |
| Cell-Based Optimization of Covalent Reversible Ketoamide Inhibitors Bridging the Unprimed to the Primed Site of Proteasome´s β5 Subunit ChemMedChem n/a (n/a) (2019) doi |
| Dual farnesoid X receptor/soluble epoxide hydrolase modulators derived from Zafirlukast ChemMedChem 0 (ja) (2019) doi |
| Combining 1,3-ditriazolyl-benzene and quinoline to discover a new G-quadruplex interactive small molecule active against cancer stem-like cells ChemMedChem 0 (ja) (2019) doi |
| Discovery of 6-arylurea-2-arylbenzoxazole and 6-arylurea-2-arylbenzimidazole derivatives as angiogenesis inhibitors: design, synthesis and in vitro biological evaluation ChemMedChem 0 (2019) doi |
| Design of natural-product-inspired multi-target ligands by machine learning ChemMedChem 0 (ja) (2019) doi |
| Chiral pool synthesis, biological evaluation and molecular docking studies of C-furanosidic LpxC inhibitors ChemMedChem (2019) doi |
| Diamondoid Amino Acid-based Peptide Kinase A Inhibitor Analogues ChemMedChem (2019) doi |
| Synthesis, Biological Evaluation and Molecular Docking of Combretastatin and Colchicine Derivatives and their hCE1-Activated Prodrugs as Antiviral Agents ChemMedChem (2019) doi |
| EFCAB2 is a novel calcium-binding protein in mouse testis and sperm PLOS ONE 14 (4) (2019) e0214687 doi |
| Ligand-guided homology modeling drives identification of novel histamine H3 receptor ligands PLOS ONE 14 (6) (2019) e0218820 doi |
| Phosphorylation-dependent activity-based conformational changes in P21-activated kinase family members and screening of novel ATP competitive inhibitors PLOS ONE 14 (11) (2019) e0225132 doi |
| Molecular dynamics simulation of aluminium binding to amyloid-β and its effect on peptide structure PLOS ONE 14 (6) (2019) e0217992 doi |
| Ambrosin, a potent NF-κβ inhibitor, ameliorates lipopolysaccharide induced memory impairment, comparison to curcumin PLOS ONE 14 (7) (2019) e0219378 doi |
| Identification of a potential allosteric site of Golgi α-mannosidase II using computer-aided drug design PLOS ONE 14 (5) (2019) e0216132 doi |
| Bioinformatic analysis of a novel Echinococcus granulosus nuclear receptor with two DNA binding domains PloS one 14 (11) (2019) e0224703-e0224703 doi |
| Colorimetric Detection of Aliphatic Alcohols in β-Cyclodextrin Solutions ACS Omega (2019) doi |
| To Pass or Not To Pass: Predicting the Blood–Brain Barrier Permeability with the 3D-RISM-KH Molecular Solvation Theory ACS Omega (2019) doi |
| Ligand-Promoted Iridium-Catalyzed Transfer Hydrogenation of Terminal Alkynes with Ethanol and Its Application ACS Omega (2019) doi |
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| Large-Scale Target Identification of Herbal Medicine Using a Reverse Docking Approach ACS Omega 4 (6) (2019) 9710-9719 doi |
| Design, Synthesis, Antimicrobial Evaluation, and Molecular Modeling Studies of Novel Indolinedione–Coumarin Molecular Hybrids ACS Omega 4 (5) (2019) 8720-8730 doi |
| Synthesis and Biological Activities of Aplyronine A Analogues toward the Development of Antitumor Protein–Protein Interaction Inducers between Actin and Tubulin: Conjugation of the C1–C9 Macrolactone Part and the C24–C34 Side Chain ACS Omega 4 (5) (2019) 8598-8613 doi |
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| Computational Prediction of the Mode of Binding of Antitumor Lankacidin C to Tubulin ACS Omega 4 (2) (2019) 4461-4471 doi |
| Recent Progress in Structure-Based Evaluation of Compound Promiscuity ACS Omega 4 (2) (2019) 2758-2765 doi |
| Predicting Blood–Brain Partitioning of Small Molecules Using a Novel Minimalistic Descriptor-Based Approach via the 3D-RISM-KH Molecular Solvation Theory ACS Omega 4 (2) (2019) 3055-3060 doi |
| Simple Coordination Geometry Descriptors Allow to Accurately Predict Metal-Binding Sites in Proteins ACS Omega 4 (2) (2019) 3726-3731 doi |
| Promiscuous Ligands from Experimentally Determined Structures, Binding Conformations, and Protein Family-Dependent Interaction Hotspots ACS Omega 4 (1) (2019) 1729-1737 doi |
| Three Novel Mutations I65S, R66S, and G86R Divulge Significant Conformational Variations in the PTB Domain of the IRS1 Gene ACS Omega 4 (1) (2019) 2217-2224 doi |
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| Discovery of New Non-acidic Lonazolac Analogues with COX-2 Selectivity as Potent Anti-inflammatory Agents MedChemComm (2019) doi |
| Structural insights and Binding Analysis for Determining the Molecular Bases for Programmed Cell Death Protein Ligand-1 Inhibition MedChemComm (2019) doi |
| Pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidines to develop functionalized ligands to target adenosine receptors: fluorescent ligands as an example MedChemComm (2019) doi |
| Synthesis, Molecular Docking, and Biological Evaluation of Novel 2-Pyrazoline Derivatives as Multifunctional Agents for the Treatment of Alzheimer's Disease MedChemComm (2019) doi |
| Methyl sulfonamide substituents improve the pharmacokinetic properties of bicyclic 2-pyridone based Chlamydia trachomatis inhibitors MedChemComm (2019) doi |
| New aryloxy-quinone derivatives with promising activity on Trypanosoma cruzi Archiv der Pharmazie n/a (n/a) (2019) e1900213 doi |
| Discovery and structure–activity relationship of plastoquinone analogs as anticancer agents against chronic myelogenous leukemia cells Archiv der Pharmazie 0 (0) (2019) e1900170 doi |
| New 2,4-disubstituted-2-thiopyrimidines as VEGFR-2 inhibitors: Design, synthesis, and biological evaluation Archiv der Pharmazie 0 (0) (2019) e1900089 doi |
| Design and synthesis of 1,2,4-triazolo[1,5-a]pyrimidine derivatives as PDE 4B inhibitors endowed with bronchodilator activity Archiv der Pharmazie 352 (8) (2019) 1900002 doi |
| Synthesis and structure–activity relationships of pyrazolo-[3,4-b]pyridine derivatives as adenosine 5'-monophosphate-activated protein kinase activators Archiv der Pharmazie 352 (8) (2019) 1900066 doi |
| Utility of anthranilic acid and diethylacetylenedicarboxylate for the synthesis of nitrogenous organo/organometallic compounds as urease inhibitors Archiv der Pharmazie 0 (0) (2019) e1800314 doi |
| Design, synthesis, and docking study of new quinoline derivatives as antitumor agents Archiv der Pharmazie (2019) e1800355 doi |
| Molecular dynamics simulation of zika virus NS5 RNA dependent RNA polymerase with selected novel non-nucleoside inhibitors Journal of Molecular Structure (2019) 127428 doi |
| Synthesis, anticancer, antimicrobial, anti-tuberculosis and molecular docking of heterocyclic N-ethyl-N-methylbenzenesulfonamide derivatives Journal of Molecular Structure (2019) 127423 doi |
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| Synthesis, structure-activity relationship and molecular docking studies of novel quinoline-chalcone hybrids as potential anticancer agents and tubulin inhibitors Journal of Molecular Structure (2019) 127310 doi |
| Zinc ternary complexes with gabapentin and neurotransmitters: Synthesis, spectral, thermal and molecular docking studies Journal of Molecular Structure (2019) 126951 doi |
| QSAR analysis of coumarin-based benzamides as histone deacetylase inhibitors using CoMFA, CoMSIA and HQSAR methods Journal of Molecular Structure (2019) 126961 doi |
| Synthesis, anti-HIV activity, molecular modeling study and QSAR of new designed 2-(2-arylidenehydrazinyl)-4-arylthiazoles Journal of Molecular Structure (2019) doi |
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| Regioselective synthesis of novel antibacterial pyrazole-benzofuran hybrids: 2D NMR spectroscopy studies and molecular docking Journal of Molecular Structure 1188 (2019) 214-226 doi |
| Designing of diamino based esterases inhibitors; synthesis, characterization, density functional theory and molecular modeling Journal of Molecular Structure (2019) doi |
| Synthesis, biological evaluation, molecular docking and structure-activity relationship studies of halogenated quinone and naphthoquinone derivatives Journal of Molecular Structure (2019) doi |
| Synthesis, molecular structure, spectroscopic properties and biological evaluation of 4-substituted-N-(1H-tetrazol-5-yl)benzenesulfonamides: Combined experimental, DFT and docking study Journal of Molecular Structure (2019) doi |
| Synthesis, structural characterization, DFT calculations, biological investigation, molecular docking and DNA binding of Co(II), Ni(II) and Cu(II) nanosized Schiff base complexes bearing pyrimidine moiety Journal of Molecular Structure 1183 (2019) 298-312 doi |
| Design, synthesis, molecular docking and biological screening of N-ethyl-N-methylbenzenesulfonamide derivatives as effective antimicrobial and antiproliferative agents Journal of Molecular Structure (2019) doi |
| Synthesis for novel VO(II)- triazole complexes; spectral, analytical characterization and catalytic usage for biodiesel synthesis from waste oil Journal of Molecular Structure (2019) doi |
| Structural, computational and in silico studies of Schiff bases derived from 2,3-dihyroxybenzaldehyde and molecular structure of their zwitterionic forms Journal of Molecular Structure (2019) doi |
| Experimental and in silico DNA binding studies with easily accessible and stable zinc(II) carboxylates Journal of Molecular Structure (2019) doi |
| Novel stilbene analogues containing thiazole moiety: Synthesis, biological evaluation and docking study Journal of Molecular Structure 1180 (2019) 780-786 doi |
| Developing lipophilic aromatic halogenated fused systems with specific ring orientations, leading to potent anticancer analogs and targeting the c-Src Kinase enzyme Journal of Molecular Structure (2019) doi |
| Synthesis, spectroscopic characterization, crystal structure, interaction with DNA, CTAB as well as evaluation of biological potency, docking and Molecular Dynamics studies of N-(3,4,5-trimethoxybenzylidene)-2, 3-dimethylbenzenamine Journal of Molecular Structure 1178 (2019) 29-38 doi |
| Inclusion complexes of flavonoids with propylenediamine modified β-cyclodextrin:Preparation, characterization and antioxidant Journal of Molecular Structure (2019) doi |
| Quantitative Structure–Cytotoxicity Relationship of 2-Arylazolylchromones and 2-Triazolylchromones Anticancer Research 39 (12) (2019) 6479-6488 doi |
| Quantitative Structure–Cytotoxicity Relationship of Azulene Amide Derivatives Anticancer Research 39 (7) (2019) 3507-3518 doi |
| Complexation of methotrexate via ligand diffusion molecular dynamic simulations under neutral, basic, and acidic conditions Journal of Molecular Graphics and Modelling 93 (2019) 107443 doi |
| Molecular modelling studies on ɑ7 nicotinic receptor allosteric modulators yields novel filter-based virtual screening protocol Journal of Molecular Graphics and Modelling 92 (2019) 44-54 doi |
| hCES1 and hCES2 mediated activation of epalrestat-antioxidant mutual prodrugs: Unwinding the hydrolytic mechanism using in silico approaches Journal of Molecular Graphics and Modelling 91 (2019) 148-163 doi |
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| Insights into the structure-affinity relationships and solvation effects between OfHex1 and inhibitors using molecular dynamics simulations Journal of Molecular Graphics and Modelling 90 (2019) 1-8 doi |
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| DFT and QSAR Studies of Ethylene Polymerization by Zirconocene Catalysts ACS Catalysis (2019) doi |
| Computational Evolution of Threonine-Rich β-Hairpin Peptides Mimicking Specificity and Affinity of Antibodies ACS Central Science (2019) doi |
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| Tracing the GSAP-APP C-99 interaction site in the β-amyloid pathway leading to Alzheimer's disease ACS Chemical Neuroscience (2019) doi |
| N-guanidyl and C-tetrazole Leu-Enkephalin Derivatives: Efficient Mu and Delta Opioid Receptor Agonists with Improved Pharmacological Properties ACS Chemical Neuroscience (2019) doi |
| Size Matters and How You Measure It: A Gram-Negative Antibacterial Example Exceeding Typical Molecular Weight Limits ACS Infectious Diseases (2019) doi |
| Fluoxetine inhibits enterovirus replication by targeting the viral 2C protein in a stereospecific manner ACS Infectious Diseases (2019) doi |
| Comparison of Large Chemical Spaces ACS Medicinal Chemistry Letters (2019) doi |
| Chalcone-Thiazole Hybrids: Rational Design, Synthesis, and Lead Identification against 5-Lipoxygenase ACS Medicinal Chemistry Letters (2019) doi |
| Coupling Supervised-MD (SuMD) with Entropy Estimations To Shine A Light On The Stability of Multiple Binding Sites ACS Medicinal Chemistry Letters (2019) doi |
| Cytosine-based TET Enzyme Inhibitors ACS Medicinal Chemistry Letters (2019) doi |
| Pharmacophore-based virtual screening and molecular docking simulation of flavonoids as smoothened protein inhibitor of Hedgehog signaling pathways AIP Conference Proceedings 2168 (1) (2019) 020060 doi |
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| Biophysical characterization and ligand-binding properties of the elongation factor Tu from Mycobacterium tuberculosis Acta Biochimica et Biophysica Sinica (2019) doi |
| Hyaluronan/collagen hydrogels containing sulfated hyaluronan improve wound healing by sustained release of Heparin-Binding EGF-like growth factor Acta Biomaterialia (2019) doi |
| Indole alkaloid glycosides with a 1′-(phenyl)ethyl unit from Isatis indigotica leaves Acta Pharmaceutica Sinica B (2019) doi |
| Synthesis and biological evaluation of a series of 2-(((5-akly/aryl-1H-pyrazol-3-yl)methyl)thio)-5-alkyl-6-(cyclohexylmethyl)-pyrimidin-4(3H)-ones as potential HIV-1 inhibitors Acta Pharmaceutica Sinica B (2019) doi |
| In vitro and in vivo activity of D-serine in combination with β-lactam antibiotics against methicillin-resistant Staphylococcus aureus Acta Pharmaceutica Sinica B (2019) doi |
| A Redox-Triggered Bispecific Supramolecular Nanomedicine Based on Peptide Self-Assembly for High-Efficacy and Low-Toxic Cancer Therapy Advanced Functional Materials 0 (0) (2019) 1904969 doi |
| EMSCs Build an All-in-One Niche via Cell–Cell Lipid Raft Assembly for Promoted Neuronal but Suppressed Astroglial Differentiation of Neural Stem Cells Advanced Materials (2019) doi |
| Study of Interaction Between Angiotensin-converting Enzyme ACE and Diuretic Inhibitor by Molecular Modeling American Journal of Chemical Engineering 7 (2019) 113-119 doi |
| Synthesis, characterization and anticonvulsant activity of new series of N-modified analogues of VV-hemorphin-5 with aminophosphonate moiety Amino Acids (2019) doi |
| Synthesis, in vitro biological activity and docking of new analogs of BIM-23052 containing unnatural amino acids Amino Acids (2019) doi |
| A cascade amplification platform assisted with DNAzyme for activity analysis, kinetic study and effector screening of Fpg in vitro Analyst (2019) doi |
| Selective Tryptophan Oxidation of Monoclonal Antibodies: Oxidative Stress and Modeling Prediction Analytical Chemistry (2019) doi |
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| Antibody Structure and Function: The Basis for Engineering Therapeutics Antibodies 8 (4) (2019) doi |
| Investigation of In-Vitro Antioxidant and Electrochemical Activities of Isolated Compounds from Salvia chamelaeagnea P.J.Bergius Extract Antioxidants 8 (4) (2019) doi |
| Evidence for an Allosteric S-Nitrosoglutathione Binding Site in S-Nitrosoglutathione Reductase (GSNOR) Antioxidants 8 (11) (2019) doi |
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| Microwave assisted synthesis of disubstituted benzyltin arylformylhydrazone complexes: anticancer activity and DNA-binding properties Applied Organometallic Chemistry 0 (0) (2019) e5092 doi |
| A Comparison in the Use of the Crystallographic Structure of the Human A1 or the A2A Adenosine Receptors as a Template for the Construction of a Homology Model of the A3 Subtype Applied Sciences 9 (5) (2019) doi |
| Aroylthiourea derivatives of ciprofloxacin drug as DNA binder: Theoretical, spectroscopic and electrochemical studies along with cytotoxicity assessment Archives of Biochemistry and Biophysics 666 (2019) 83-98 doi |
| Identification of novel agonists by high-throughput screening and molecular modelling of human constitutive androstane receptor isoform 3 Archives of Toxicology (2019) doi |
| Clinical implications of a novel prognostic factor AIFM3 in breast cancer patients BMC Cancer 19 (1) (2019) 451 doi |
| Design, efficient synthesis and molecular docking of some novel thiazolyl-pyrazole derivatives as anticancer agents BMC Chemistry 13 (1) (2019) 116 doi |
| Design, synthesis, and biological evaluation of novel N4-substituted sulfonamides: acetamides derivatives as dihydrofolate reductase (DHFR) inhibitors BMC Chemistry 13 (1) (2019) 91 doi |
| Molecular docking and simulation of Zika virus NS3 helicase BMC Chemistry 13 (1) (2019) 67 doi |
| Computational studies of 2-(4-oxo-3-phenylthiazolidin-2-ylidene)malononitrile BMC Chemistry 13 (1) (2019) 25 doi |
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| Bipolenins K–N: New sesquiterpenoids from the fungal plant pathogen Bipolaris sorokiniana Beilstein J. Org. Chem. 15 (2019) 2020-2028 doi |
| Palladium-catalyzed synthesis and nucleotide pyrophosphatase inhibition of benzo[4,5]furo[3,2-b]indoles Beilstein Journal of Organic Chemistry 15 (2019) 2830-2839 doi |
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| Acalypha wilkesiana flowers: Phenolic profiling, cytotoxic activity of their biosynthesized silver nanoparticles and molecular docking study for its constituents as Topoisomerase-I inhibitors Biocatalysis and Agricultural Biotechnology 20 (2019) 101243 doi |
| A2A and A2B adenosine receptors: the extracellular loop 2 determines high (A2A) or low affinity (A2B) for adenosine Biochemical Pharmacology (2019) 113718 doi |
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| Genipin, a natural AKT inhibitor, targets the PH domain to affect downstream signaling and alleviates inflammation Biochemical Pharmacology (2019) 113660 doi |
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| Modulation of the Biophysical Properties of Bifunctional Antibodies as a Strategy for Mitigating Poor Pharmacokinetics Biochemistry 58 (28) (2019) 3116-3132 doi |
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| Role of TGF-β1 and C-Kit Mutations in the Development of Hepatocellular Carcinoma in Hepatitis C Virus-Infected Patients: in vitro Study Biochemistry (Moscow) 84 (8) (2019) 941-953 doi |
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| Polarity of the ATP binding site of the Na+,K+-ATPase, gastric H+,K+-ATPase and sarcoplasmic reticulum Ca2+-ATPase Biochimica et Biophysica Acta (BBA) (2019) 183138 doi |
| The carboxyl-terminal helical domain of the ATP synthase γ subunit is involved in ε subunit conformation and energy coupling Biochimica et Biophysica Acta (BBA) (2019) doi |
| Deficiency of perforin and hCNT1, a novel inborn error of pyrimidine metabolism, associated with a rapidly developing lethal phenotype due to multi-organ failure Biochimica et Biophysica Acta (BBA) (2019) doi |
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| MMP-14 degrades tropoelastin and elastin Biochimie 165 (2019) 32-39 doi |
| The C7-aminomethylpyrrolidine group rescues the activity of a thio-fluoroquinolone Biochimie 160 (2019) 24-27 doi |
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| Isolation of dihydrobenzofuran derivatives from ethnomedicinal species Polygonum barbatum as anticancer compounds Biological Research 52 (1) (2019) 1 doi |
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| Tambulin from Zanthoxylum armatum acutely potentiates the glucose-induced insulin secretion via KATP-independent Ca2+-dependent amplifying pathway Biomedicine & Pharmacotherapy 120 (2019) 109348 doi |
| Naproxenylamino acid derivatives: Design, synthesis, docking, QSAR and anti-inflammatory and analgesic activity Biomedicine & Pharmacotherapy 116 (2019) 109024 doi |
| Albizia anthelmintica: HPLC-MS/MS profiling and in vivo anti-inflammatory, pain killing and antipyretic activities of its leaf extract Biomedicine & Pharmacotherapy 115 (2019) 108882 doi |
| Anti-hyperglycemic and anti-hyperlipidemic effects of rhinacanthins-rich extract from Rhinacanthus nasutus leaves in nicotinamide-streptozotocin induced diabetic rats Biomedicine & Pharmacotherapy 113 (2019) 108702 doi |
| NP-Scout: Machine Learning Approach for the Quantification and Visualization of the Natural Product-Likeness of Small Molecules Biomolecules 9 (2) (2019) doi |
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| Preparation, Characterization, and Inhibition of Hyaluronic Acid Oligosaccharides in Triple-Negative Breast Cancer Biomolecules 9 (9) (2019) doi |
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| Molecular Docking of Isolated Alkaloids for Possible α-Glucosidase Inhibition Biomolecules 9 (10) (2019) doi |
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| Discovery of metyltetraprole: Identification of tetrazolinone pharmacophore to overcome QoI resistance Bioorganic & Medicinal Chemistry (2019) 115211 doi |
| Modelling the binding mode of macrocycles: docking and conformational sampling Bioorganic & Medicinal Chemistry (2019) 115143 doi |
| Synthesis, biological evaluation and molecular docking studies of new amides of 4-bromothiocolchicine as anticancer agents Bioorganic & Medicinal Chemistry (2019) 115144 doi |
| Impact of hydroxy moieties at the benzo[7]annulene ring system of GluN2B ligands: design, synthesis and biological evaluation Bioorganic & Medicinal Chemistry (2019) 115146 doi |
| Developing new hybrid scaffold for urease inhibition based on carbazole-chalcone conjugates: Synthesis, assessment of therapeutic potential and computational docking analysis Bioorganic & Medicinal Chemistry (2019) 115123 doi |
| Novel Epidithiodiketopiperazines as anti-viral zinc ejectors of the Feline Immunodeficiency Virus (FIV) nucleocapsid protein as a model for HIV infection Bioorganic & Medicinal Chemistry (2019) doi |
| Design and synthesis of sulfonamidophenylethylamides as novel cardiac myosin activator Bioorganic & Medicinal Chemistry (2019) doi |
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| Optimization and biological evaluation of nicotinamide derivatives as Aurora kinase inhibitors Bioorganic & Medicinal Chemistry (2019) doi |
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| Synthesis of oxadiazole-coupled-thiadiazole derivatives as a potent β-glucuronidase inhibitors and their molecular docking study Bioorganic & Medicinal Chemistry (2019) doi |
| Development of novel macrocyclic small molecules that target CTG trinucleotide repeats Bioorganic & Medicinal Chemistry (2019) doi |
| Synthesis, biological evaluation, and molecular docking study of sulfonate derivatives as nucleotide pyrophosphatase (NPPs) inhibitors Bioorganic & Medicinal Chemistry (2019) doi |
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| Proline-based Hydroxamates Targeting the Zinc-Dependent Deacetylase LpxC: Synthesis, Antibacterial Properties, and Docking Studies Bioorganic & Medicinal Chemistry (2019) doi |
| Discovery of Thiazolidin-4-one Urea Analogues as Novel Multikinase Inhibitors that Potently Inhibit FLT3 and VEGFR2 Bioorganic & Medicinal Chemistry (2019) doi |
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| Virtual screening to identify potent sepiapterin reductase inhibitors Bioorganic & Medicinal Chemistry Letters (2019) 126793 doi |
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| In vitro and in silico AHR assays for assessing the risk of heavy oil-derived polycyclic aromatic hydrocarbons in fish Ecotoxicology and Environmental Safety 181 (2019) 214-223 doi |
| Using a hybrid read-across method to evaluate chemical toxicity based on chemical structure and biological data Ecotoxicology and Environmental Safety 178 (2019) 178-187 doi |
| Insights into pesticide toxicity against aquatic organism: QSTR models on Daphnia Magna Ecotoxicology and Environmental Safety 173 (2019) 285-292 doi |
| The aryl hydrocarbon receptor 2 potentially mediates cytochrome P450 1A induction in the jungle crow (Corvus macrorhynchos) Ecotoxicology and Environmental Safety 171 (2019) 99-111 doi |
| Decreased Activity of the Ghrhr and Gh Promoters Causes Dominantly Inherited GH Deficiency in Humanized GH1 Mouse Models Endocrinology (2019) doi |
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| Engineered thermostable β–fructosidase from Thermotoga maritima with enhanced fructooligosaccharides synthesis Enzyme and Microbial Technology (2019) doi |
| Transition Metal Substituted Polyoxometalates as α-glucosidase inhibitors European Journal of Inorganic Chemistry 0 (ja) (2019) doi |
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| Challenging the Molecular Parameters of Vetiver: Can 4,5-Dimethyl-3-(3’-methylbut-1’-en-2’-yl)-4-phenylcyclopent-2-en-1-one Mimic Zizaenones in Structure and Odor? European Journal of Organic Chemistry (2019) doi |
| L-type amino acid transporter 1 utilizing prodrugs of ferulic acid revealed structural features supporting the design of prodrugs for brain delivery European Journal of Pharmaceutical Sciences 129 (2019) 99-109 doi |
| Towards modern anticancer agents that interact with tubulin European Journal of Pharmaceutical Sciences (2019) doi |
| New thiobarbituric acid scaffold-based small molecules: Synthesis, cytotoxicity, 2D-QSAR, pharmacophore modelling and in-silico ADME screening European Journal of Pharmaceutical Sciences (2019) doi |
| Micro-scale solubility assessments and prediction models for active pharmaceutical ingredients in polymeric matrices European Journal of Pharmaceutics and Biopharmaceutics (2019) doi |
| Structure characteristics of flavonoids for cyclooxygenase-2 mRNA inhibition in lipopolysaccharide-induced inflammatory macrophages European Journal of Pharmacology (2019) 172416 doi |
| Natural compound methyl protodioscin protects rat brain from ischemia/reperfusion injury through regulation of Mul1/SOD2 pathway European Journal of Pharmacology (2019) doi |
| Proteomics and Docking Study Targeting Penicillin-Binding Protein and Penicillin-Binding Protein2a of Methicillin-Resistant Staphylococcus aureus Strain SO-1977 Isolated from Sudan Evolutionary Bioinformatics 15 (2019) doi |
| Structure and development of single domain antibodies as modules for therapeutics and diagnostics Experimental Biology and Medicine (2019) 1535370219881129 doi |
| Functional group and diversity analysis of BIOFACQUIM: A Mexican natural product database [version 1; peer review: 1 approved with reservations] F1000 Research 8 (2019) 2071 doi |
| In silico docking analysis of CCL28 (C-C motif chemokine ligand 28) and astragalin as the potential inhibitor of rheumatoid arthritis [version 1; peer review: awaiting peer review] F1000 Research (2019) doi |
| Screening of terpenoids as potential therapeutics against Zaire ebolavirus infection through pharmacophore-based drug design F1000 Research 8 (2019) 1040 doi |
| Functional Characterization and Mechanistic Modeling of the Human Cytochrome P450 enzyme CYP4A22 FEBS Letters 0 (ja) (2019) doi |
| Possible Molecular Mechanisms and Pathways Involved in BH3 Mimetic Activity of Alpha-Lipoic Acid on Human Colon Cancer Cell Line Farmacia 67 (2019) 226-234 doi |
| Is related the hematopoietic stem cells differentiation in the Nile tilapia with GABA exposure? Fish & Shellfish Immunology (2019) doi |
| Selenoneine suppresses melanin synthesis by inhibiting tyrosinase in murine B16 melanoma cells and 3D-cultured human melanocytes Fisheries Science (2019) doi |
| Inhibition of angiotensin-converting enzyme by selenoneine Fisheries Science (2019) doi |
| Diverse epoxy grayanane diterpenoids with analgesic activity from the roots of Pieris formosa Fitoterapia 133 (2019) 29-34 doi |
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| Hydroxyphenyl thiosemicarbazones as inhibitors of mushroom tyrosinase and antibrowning agents Food Chemistry (2019) 125310 doi |
| Structure affinity relationship and docking studies of flavonoids as substrates of multidrug-resistant associated protein 2 (MRP2) in MDCK/MRP2 cells Food Chemistry (2019) doi |
| Identification and characterization of a thermostable pectate lyase from Aspergillus luchuensis var. saitoi Food Chemistry 276 (2019) 503-510 doi |
| Pharmacophore studies of 1, 3, 4-oxadiazole nucleus: Lead compounds as α-glucosidase inhibitors Food and Chemical Toxicology 130 (2019) 207-218 doi |
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| Data structures for compound promiscuity analysis: promiscuity cliffs, pathways and promiscuity hubs formed by inhibitors of the human kinome Future Science OA (2019) FSO404 doi |
| Evaluating new strategies for anticancer molecules from ethnic medicinal plants through in silico and biological approach Gene Reports (2019) 100553 doi |
| Structural basis for specific recognition of core fucosylation in N-glycans by Pholiota squarrosa lectin (PhoSL) Glycobiology (2019) doi |
| UDP-N-acetyl-α-D-galactosamine:polypeptide N-acetylgalactosaminyltransferase from the snail Biomphalaria glabrata – structural reflections Glycoconjugate Journal (2019) doi |
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| Coumarin derivatives as acetyl- and butyrylcholinestrase inhibitors: An in vitro, molecular docking, and molecular dynamics simulations study Heliyon 5 (4) (2019) e01552 doi |
| A Facile Synthesis, Docking Study and Antitumor Activity of Some Furan-Chalcone and Furylpyrazole Hybrids Heterocycles 98 (2019) 1200-1214 doi |
| Pharmacophore-based virtual screening and molecular docking simulation of terpenoid compounds as the inhibitor of sonic hedgehog protein for colorectal cancer therapy IOP Conference Series: Materials Science and Engineering 509 (2019) 012075 doi |
| In silico identification of potent inhibitors of heat shock protein 90 (Hsp90) from Indonesian natural product compounds as a novel approach to treat ebola virus disease IOP Conference Series: Materials Science and Engineering 509 (2019) 012082 doi |
| Virtual screening of natural products as an inhibitor of DNA methyltransferase 1 enzyme for breast cancer disease IOP Conference Series: Materials Science and Engineering 509 (2019) 012052 doi |
| Discovery of biogenic-based compound as potential heat-shock protein 90 inhibitor through fragment-based drug design IOP Conference Series: Materials Science and Engineering 509 (2019) 012081 doi |
| Molecular Docking Studies of a Chalcone Derivative Compound p-hydroxy-m-methoxychalcone with Tyrosine Kinase Receptors Indian Journal of Public Health Research & Development 10 (2019) 1219-1224 doi |
| GC-MS profiling, bioactivities and in silico theoretical explanation of cone oil from Pinus thunbergii Parl Industrial Crops and Products 141 (2019) 111765 doi |
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| Substrate-specificity of cytochrome P450-mediated detoxification as an evolutionary strategy for specialization on furanocoumarin-containing hostplants: CYP6AE89 in parsnip webworms Insect Molecular Biology 0 (ja) (2019) doi |
| Chemoinformatic Approach: The Case of Natural Products of Panama IntechOpen (2019) doi |
| The Molecular and Structural Basis of O-methylation Reaction in Coumarin Biosynthesis in Peucedanum praeruptorum Dunn International Journal of Molecular Sciences 20 (2019) 1533 doi |
| Design and Synthesis of A PD-1 Binding Peptide and Evaluation of Its Anti-Tumor Activity International Journal of Molecular Sciences 20 (3) (2019) doi |
| Prevention of Deficit in Neuropsychiatric Disorders through Monitoring of Arsenic and Its Derivatives as Well as Through Bioinformatics and Cheminformatics International Journal of Molecular Sciences 20 (8) (2019) doi |
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| Molecular modelling of TLR agonist Pam3CSK4 entrapment in PLA nanoparticles as a tool to explain loading efficiency and functionality International Journal of Pharmaceutics (2019) 118569 doi |
| The effect of the saturation degree of phospholipid on the formation of a novel self-assembled nano-micellar complex carrier with enhanced intestinal permeability International Journal of Pharmaceutics (2019) 118567 doi |
| Self-Assembled Tannic Acid Complexes for pH-Responsive Delivery of Antibiotics: Role of Drug-Carrier Interactions International Journal of Pharmaceutics (2019) doi |
| Molecular Docking and Quantitative Structure Activity Relationship (QSAR) Studies of Some Newly Synthesized Poly (Azomethine) Esters International Journal of Polymer Science 2019 (2019) 10 doi |
| Dual evaluation of some novel chalcone annulated pyrazolines as anti-inflammatory and antimicrobial agents via in-silico target study on cyclooxygenase-2 International Journal of Research in Pharmaceutical Sciences 10 (4) (2019) doi |
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| Discovery of a novel rhein-SAHA hybrid as a multi-targeted anti-glioblastoma drug Investigational New Drugs (2019) doi |
| Design, synthesis, and biological activity of TLR7-based compounds for chemotherapy-induced alopecia Investigational New Drugs (2019) doi |
| Nanoinformatics in Drug Delivery Israel Journal of Chemistry 0 (0) (2019) doi |
| Computational Study of Interaction between Olfactory Chemokine Receptor and Dienone Musks J Biochem Tech 10 (2019) 56-65 |
| Toll-like receptor 6 expression, sequence variants, and their association with colorectal cancer risk J Cancer 10 (2019) 2969-2981 doi |
| Comparison of Steroid Hormone Hydroxylations by and Docking to Human Cytochromes P450 3A4 and 3A5 J Pharm Pharm Sci 22 (2019) 332-339 |
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| Finding the Relationship Between the Biological Dagradtion Rate Constants and Some of the Calculated Physical Properties of a Number of Carcinogenic poly Aromatic Hydrocarbons JOURNAL OF EDUCATION AND SCIENCE 28 (3) (2019) 17-29 doi |
| Structure-based tailoring of the first coumarins-specific bergaptol O-methyltransferase to synthesize bergapten for depigmentation disorder treatment Journal of Advanced Research (2019) doi |
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| HIV-1 protease, Gag and gp41 baseline substitutions associated with virological response to a PI-based regimen Journal of Antimicrobial Chemotherapy (2019) doi |
| In-silico study of flavonoids from Cassia tora as potential anti-psoriatic agent Journal of Applied Pharmaceutical Science 9 (2019) 82-87 doi |
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| Synthesis and antibacterial evaluation of new azo-pyrimidine Journal of Applied Pharmaceutical Science 9 (2019) 9-16 doi |
| Exploring adverse effects of puerarin on catalase by multiple spectroscopic investigations and docking studies in vitro Journal of Biochemical and Molecular Toxicology (2019) e22296 doi |
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| Streamlining the polishing step development process via physicochemical characterization of monoclonal antibody aggregates Journal of Chromatography A (2019) doi |
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| Formulation of Antimicrobial Tobramycin Loaded PLGA Nanoparticles via Complexation with AOT Journal of Functional Biomaterials 10 (2) (2019) doi |
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| Natural product puerarin activates Akt and ameliorates glucose and lipid metabolism dysfunction in hepatic cells Journal of Functional Foods 55 (2019) 296-304 doi |
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| Polyoxometalates: Study of inhibitory kinetics and mechanism against α-glucosidase Journal of Inorganic Biochemistry (2019) 110784 doi |
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| Molecular modeling and experimental study of a new peptide-based microextraction fiber for preconcentrating morphine in urine samples Journal of Molecular Modeling 25 (2019) 1-12 |
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| Action of Thioglycosides of 1,2,4-Triazoles and Imidazoles on the Oxidative Stress and Glycosidases in Mice with Molecular Docking Letters in Drug Design & Discovery 16 (6) (2019) 696-710 doi |
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| Aurones as New Porcine Pancreatic α-Amylase Inhibitors Letters in Drug Design & Discovery 16 (3) (2019) 333-340 doi |
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| Chapter 6 In Silico Drug Design Academic Press (2019) 161-189 doi |
| ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (Kopenhagen, DK) (2019) |
| Humanization and Simultaneous Optimization of Monoclonal Antibody Human Monoclonal Antibodies: Methods and Protocols Springer New York (2019) 213-230 doi |
| BISPECIFIC ANTIBODY-LIKE BINDING PROTEINS SPECIFICALLY BINDING TO CD3 AND CD123 SANOFI (Paris, FR) (2019) |
| Frontier Between Cyclic Peptides and Macrocycles Cyclic Peptide Design Springer New York (2019) 147-202 doi |
| CHEMINFORMATICS ANALYSIS AND COMPUTATIONAL MODELING OF DETERGENT-SENSITIVE AGGREGATION PhD Thesis, University of North Carolina at Chapel Hill (2019) |
| Modeling of Membrane Proteins Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes: From Bioinformatics to Molecular Quantum Mechanics Springer International Publishing (2019) 371-451 doi |
| Successful Drug Discovery Vol. 4; Ocrelizumab: A new generation of anti-CD20 mAb for treatment of multiple sclerosis In Successful Drug Discovery Vol. 4; Ocrelizumab: A new generation of anti-CD20 mAb for treatment of multiple sclerosis; Wiley (2019) |
| High-Throughput Antibody Structure Modeling and Design Using ABodyBuilder Computational Methods in Protein Evolution Springer New York (2019) 367-380 doi |
| ANTI-EPHA4 ANTIBODY EISAI R&D MANAGEMENT CO., LTD. (Tokyo, JP) (2019) |
| Computer-Aided Drug Discovery Advances in Animal Biotechnology Springer International Publishing (2019) 471-481 doi |
| Web-Based Tools for Polypharmacology Prediction Systems Chemical Biology: Methods and Protocols Springer New York (2019) 255-272 doi |
| In-silico Tools in Phytochemical Research Phytochemistry: An in-silico and in-vitro Update: Advances in Phytochemical Research Springer Singapore (2019) 351-372 doi |
| S1PR2 ANTAGONISTS AND USES THEREFOR DALHOUSIE UNIVERSITY (Halifax, CA) (2019) |
| In Silico Approaches to Predict Drug-Transporter Interaction Profiles: Data Mining, Model Generation, and Link to Cholestasis Experimental Cholestasis Research Springer New York (2019) 383-396 doi |
| Regulation of BK Channel Activity by Cholesterol and Its Derivatives Cholesterol Modulation of Protein Function: Sterol Specificity and Indirect Mechanisms Springer International Publishing (2019) 53-75 doi |
| Structure-Based Drug Design with a Special Emphasis on Herbal Extracts Structural Bioinformatics: Applications in Preclinical Drug Discovery Process Springer International Publishing (2019) 271-305 doi |
| Chapter 10 Helicases from All Domains of Life Academic Press (2019) 173-189 doi |
| ELUCIDATING FUNCTIONAL MECHANISMS IN PROTEINS USING THE PhD Thesis, University of North Carolina at Charlotte (2019) |
| NOVEL COMPOSITIONS USEFUL IN TREATING BRAIN-RELATED DISEASES OR DISORDERS AND METHODS USING SAME DREXEL UNIVERSITY (Philadelphia, PA, US) (2019) |
| MIXTURES OF ANTIBODIES Qilu Puget Sound Biotherapeutics Corporation (Bothell, WA, US) (2019) |
| VARIANT ENZYMES DANISCO US INC (PALO ALTO, CA, US) (2019) |
| Computational Opportunities and Challenges in Finding Cyclic Peptide Modulators of Protein–Protein Interactions Cyclic Peptide Design Springer New York (2019) 73-95 doi |
| ALZHEIMER'S DISEASE ASSAY IN A LIVING PATIENT Pain Therapeutics, Inc. (Austin, TX, US) (2019) |
| Antidote for Chondroitinase WONG Bing Lou (2019) |
| METHODS FOR IDENTIFYING INHIBITORS OF AMYLOID PROTEIN AGGREGATION Treventis Corporation (Bryn Mawr, PA, US) (2019) |
| Conformationally restricted 4-substituted-2,6-dimethylfuro[2,3-d]pyrimidines as anti-tumor agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (Pittsburgh, PA, US) (2019) |
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| A Toolbox for the Identification of Modes of Action of Natural Products Progress in the Chemistry of Organic Natural Products 110: Cheminformatics in Natural Product Research Springer International Publishing (2019) 73-97 doi |
| Chapter 13 In Silico Drug Design Academic Press (2019) 359-395 doi |
| Chapter 19 New Look to Phytomedicine Academic Press (2019) 523-548 doi |
| Validation strategies for target prediction methods (2019) doi |
| DEVELOPMENT OF PEDIATRIC ANTI-HIV FORMULATIONS WITH IMPROVED DISSOLUTION CHARACTERISTICS PhD Thesis, University of Rhode Island (2019) |
| Chapter 2 In Silico Drug Design Academic Press (2019) 19-44 doi |
| Identification of the novel class D β-lactamase OXA-679 involved in carbapenem resistance in Acinetobacter calcoaceticus (2019) doi |
| In Silico Target Prediction for Small Molecules Systems Chemical Biology: Methods and Protocols Springer New York (2019) 273-309 doi |
| Human IL-23 Antigen Binding Proteins AMGEN INC. (Thousand Oaks, CA, US) (2019) |
| TISSUE PROTECTIVE PEPTIDES FOR PREVENTING AND TREATING DISEASES AND DISORDERS ASSOCIATED WITH TISSUE DAMAGE Araim Pharmaceuticals, Inc. (Tarrytown, NY, US) (2019) |
| Chapter 5 The Handbook of Metabolic Phenotyping Elsevier (2019) 171-204 doi |
| How to Prepare a Compound Collection Prior to Virtual Screening Bioinformatics and Drug Discovery Springer New York (2019) 119-138 doi |
| Viral Polypeptide Fragments That Bind Cellular POL II C-Terminal Domain (CTD) and Their Uses THE EUROPEAN MOLECULAR BIOLOGY LABORATORY (Heidelberg, DE) (2019) |
| ANTI-EVA1 PROTEIN ANTIBODY NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (Sapporo-shi, Hokkaido, JP) (2019) |
| ANTI-TAU ANTIBODIES AND METHODS OF USE GENENTECH, INC. (South San Francisco, CA, US),AC IMMUNE SA (Lausanne, CH) (2019) |
| SELECTIVE UV CROSSLINKING OF PEPTIDES AND FUNCTIONAL MOIETIES TO IMMUNOGLOBULINS University of Notre Dame du Lac (South Bend, IN, US) (2019) |
| COMBINATION OF A BRD4 INHIBITOR AND AN ANTIFOLATE FOR THE THERAPY OF CANCER CeMM-Forschungszentrum für Molekulare Medizin GmbH (Wien, AT), (2019) |
| ENGINEERED IL-2 Fc FUSION PROTEINS Xencor, Inc. (Monrovia, CA, US) (2019) |
| MONOCLONAL ANTIBODY COCKTAILS FOR TREATMENT OF EBOLA INFECTIONS MAPP BIOPHARMACEUTICAL, INC. (SAN DIEGO, CA, US) (2019) |
| ANTI-MICROBIAL PEPTIDES AND METHOD FOR DESIGNING NOVEL ANTI-MICROBIAL PEPTIDES RENSSELAER POLYTECHNIC INSTITUTE (Troy, NY, US) (2019) |
| Relationship of MATE1 inhibition and cytotoxicity in nephrotoxicity: application for safety evaluation in early drug discovery (2019) doi |
| ANTI-CD27 ANTIBODIES Merck Sharp & Dohme Corp. (Rahway, NJ, US),Merck Sharp & Dohme B.V. (Haarlem, NL) (2019) |
| Alzheimer's disease assay in a living patient Pain Therapeutics, Inc. (Austin, TX, US) (2019) |
| COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (New York, NY, US) (2019) |
| Resources for Chemical, Biological, and Structural Data on Natural Products Progress in the Chemistry of Organic Natural Products 110: Cheminformatics in Natural Product Research Springer International Publishing (2019) 37-71 doi |
| INSECTICIDAL PROTEINS FROM PLANTS AND METHODS FOR THEIR USE PIONEER HI-BRED INTERNATIONAL, INC. (JOHNSTON, IA, US) (2019) |
| Mass Spectrometric Identification and Molecular Modeling of Glycopeptides Presented by MHC Class I and II Processing Pathways Immunoproteomics: Methods and Protocols Springer New York (2019) 269-285 doi |
| Discovery of an influenza virus entry inhibitor targeting host kinases PhD Thesis, Icahn School of Medicine at Mount Sinai (2019) |
| Cheminformatic Analysis of Natural Product Fragments Progress in the Chemistry of Organic Natural Products 110: Cheminformatics in Natural Product Research Springer International Publishing (2019) 143-175 doi |
| INTERLEUKIN-31 MONOCLONAL ANTIBODIES FOR VETERINARY USE Zoetis Services LLC (Parsippany, NJ, US) (2019) |
| RSV F Protein Mutants Pfizer Inc. (New York, NY, US) (2019) |
| OPTIMAL SOYBEAN LOCI Dow AgroSciences LLC (Indianapolis, IN, US) (2019) |
| ADMINISTRATION OF AURORA KINASE INHIBITORS FOR ANTI-MALARIAL THERAPY University of Central Florida Research Foundation, Inc. (Orlando, FL, US) (2019) |
| Combinatorial Designing of Novel Lead Molecules Towards the Putative Drug Targets of Extreme Drug-Resistant Mycobacterium tuberculosis: A Future Insight for Molecular Medicine Essentials of Bioinformatics, Volume II: In Silico Life Sciences: Medicine Springer International Publishing (2019) 233-281 doi |
| A Computational Bipartite Graph-Based Drug Repurposing Method Computational Methods for Drug Repurposing Springer New York (2019) 115-127 doi |
| ANTIBODIES AGAINST HMGB1, AND COMPOSITION COMPRISING SAME FOR TREATING OR PREVENTING ALZHEIMER'S DISEASE National University Corporation Tokyo Medical and Dental University (Tokyo, JP) (2019) |
| The Pharmacophore Concept and Its Applications in Computer-Aided Drug Design Progress in the Chemistry of Organic Natural Products 110: Cheminformatics in Natural Product Research Springer International Publishing (2019) 99-141 doi |
| Near-infrared oligonucleotide duplex sensors for imaging rapidly activated transcription factors in vitro and in situ In Near-infrared oligonucleotide duplex sensors for imaging rapidly activated transcription factors in vitro and in situ; SPIE (2019) doi |
| In-silico Approaches to Study Therapeutic Efficacy of Nutraceuticals Phytochemistry: An in-silico and in-vitro Update: Advances in Phytochemical Research Springer Singapore (2019) 479-490 doi |
| Molecular Determinants of Cholesterol Binding to Soluble and Transmembrane Protein Domains Direct Mechanisms in Cholesterol Modulation of Protein Function Springer International Publishing (2019) 47-66 doi |
| Computer-based techniques for lead identification and optimization I: Basics Physical Sciences Reviews (2019) doi |
| METHOD OF INHIBITING TAU PHOSPHORYLATION Pain Therapeutics, Inc. (Austin, TX, US) (2019) |
| ANTIBODY WITH NON-NATURAL AMINO ACID INTRODUCED THEREIN RIKEN (Wako-shi, Saitama, JP),KYOWA HAKKO KIRIN CO., LTD. (Tokyo, JP) (2019) |
| SMALL MOLECULES ACTIVE AGAINST GRAM-NEGATIVE BACTERIA The Board of Trustees of the University of Illinois (Urbana, IL, US) (2019) |
| HIGH THROUGHPUT ANTIBODY VARIANT SCREENING METHOD Just Biotherapeutics, Inc. (Seattle, WA, US) (2019) |
| In Silico Structure-Based Prediction of Receptor–Ligand Binding Affinity: Current Progress and Challenges Structural Bioinformatics: Applications in Preclinical Drug Discovery Process Springer International Publishing (2019) 109-175 doi |
| Pharmacophore Modelling and Screening: Concepts, Recent Developments and Applications in Rational Drug Design Structural Bioinformatics: Applications in Preclinical Drug Discovery Process Springer International Publishing (2019) 25-53 doi |
| DNA-Encoded Macrocyclic Peptide Library Cyclic Peptide Design Springer New York (2019) 273-284 doi |
| PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE Duquesne University of the Holy Spirit (Pittsburgh, PA, US) (2019) |
| GLUCOSYLTRANSFERASE AMINO ACID MOTIFS FOR ENZYMATIC PRODUCTION OF LINEAR POLY ALPHA-1,3-GLUCAN E I DU PONT DE NEMOURS AND COMPANY (Wilmington, DE, US) (2019) |
| Cyclopenta[d]pyrimidines And Substituted Cyclopenta[d]pyrimidines As Antitubulin and Microtubule Targeting Agents, Monocyclic Pyrimidines As Tubulin Inhibitors, And Pyrrolopyrimidines As Targeted Antifolates And Tubulin and Multiple Receptor Tyrosine Kinase Inhibition And Antitumor Agents Duquesne University of the Holy Spirit (Pittsburgh, PA, US) (2019) |