Computational approaches to improve aggrecanase-1 inhibitory activity of (4-keto) phenoxy) methyl biphenyl-4-sulfonamide: Group based QSAR and docking studies

Medicinal Chemistry

Volumn 8, Issue 4, 2012, Pages 673-682

  Sivakumar, Ponnurengam Malliappan ^a   Selvaraj, Naga Vignesh ^b   Ramesh, G ^b   Mohanapriya, J ^a   Prabhawathi, Veluchamy ^a   Doble, Mukesh ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY MADRAS   (India)

^b ANNA UNIVERSITY   (India)

Author keywords

Aggrecanase; Binding energy; Docking; Electrotopological descriptor; GQSAR; Radius of gyration

Indexed keywords

(4 KETO PHENOXY) METHYL BIPHENYL 4 SULFONAMIDE DERIVATIVE; AGGRECANASE 1; LEAD; METALLOPROTEINASE INHIBITOR; SULFONAMIDE; UNCLASSIFIED DRUG;

ARTICLE; CONTROLLED STUDY; CORRELATION ANALYSIS; ENZYME ACTIVITY; ENZYME BINDING; ENZYME INHIBITION; HUMAN; METHODOLOGY; MOLECULAR DOCKING; OSTEOARTHRITIS; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATISTICAL PARAMETERS; SUBSTITUTION REACTION; VALIDATION PROCESS;

ADAM PROTEINS; BINDING SITES; CATALYTIC DOMAIN; COMPUTER SIMULATION; DRUG DESIGN; HUMANS; MODELS, BIOLOGICAL; MOLECULAR STRUCTURE; PROCOLLAGEN N-ENDOPEPTIDASE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SULFONAMIDES;

EID: 84863745639     PISSN: 15734064     EISSN: 18756638     Source Type: Journal    
DOI: 10.2174/157340612801216247     Document Type: Article

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