Potent inhibitors precise to S1' loop of MMP-13, a crucial target for osteoarthritis

Journal of Molecular Graphics and Modelling

Volumn 44, Issue , 2013, Pages 297-310

  Kalva, Sukesh ^a   Saranyah, K ^a   Rathi Suganya, P ^a   Nisha, M ^a   Saleena, Lilly M ^a  

^a SRM INSTITUTE OF SCIENCE AND TECHNOLOGY   (India)

Author keywords

Docking; E model energies; MMP 13; Pharmacophore; QSAR; Zinc database

Indexed keywords

BINDING ENERGY; BINDING SITES; BINS; COMPUTATIONAL CHEMISTRY; CRYSTAL STRUCTURE; DISEASES; DOCKING; ENZYME INHIBITION; LIGANDS; PHARMACODYNAMICS; PROTEINS;

AMINO ACID INTERACTIONS; E-MODEL; MATRIX METALLOPROTEINASES; MMP-13; PHARMACOPHORES; QSAR; RECEIVER OPERATING CURVES; RHEUMATOID ARTHRITIS;

ZINC;

AMINO ACID; COLLAGENASE 3; METALLOPROTEINASE INHIBITOR; ZINC;

ARTICLE; CRYSTAL STRUCTURE; DRUG BINDING SITE; DRUG POTENCY; DRUG SELECTIVITY; ENZYME INHIBITION; HUMAN; HYDROGEN BOND; IC 50; OSTEOARTHRITIS; PHARMACOPHORE; PRIORITY JOURNAL; PROTEIN TARGETING; RECEIVER OPERATING CHARACTERISTIC; X RAY CRYSTALLOGRAPHY;

DOCKING; E-MODEL ENERGIES; MMP-13; PHARMACOPHORE; QSAR; ZINC DATABASE;

ALGORITHMS; DATABASES, FACTUAL; HUMANS; HYDROGEN BONDING; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; LIGANDS; MATRIX METALLOPROTEINASE 13; MATRIX METALLOPROTEINASE INHIBITORS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; PROTEIN CONFORMATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REPRODUCIBILITY OF RESULTS; ROC CURVE;

EID: 84881138808     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2013.06.005     Document Type: Article

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