A CoMFA study of COX-2 inhibitors with receptor based alignment

Journal of Molecular Graphics and Modelling

Volumn 23, Issue 3, 2004, Pages 239-251

  Datar, Prasanna A ^a   Coutinho, Evans C ^a  

^a BOMBAY COLLEGE OF PHARMACY   (India)

Author keywords

3D QSAR; CoMFA; COX 2; Docking; Ligand receptor interaction

Indexed keywords

BINDING INFORMATION; COMFA ANALYSIS; STATISTICAL PARAMETERS;

ENZYMES; HYDROGEN BONDS; MATHEMATICAL MODELS; MOLECULES; PARAMETER ESTIMATION; STATISTICAL METHODS;

CRYSTALLOGRAPHY;

BENZENE DERIVATIVE; CYCLOOXYGENASE 2 INHIBITOR; CYCLOPENTENE DERIVATIVE; IMIDAZOLE DERIVATIVE; ISOXAZOLE DERIVATIVE; OXADIAZOLE DERIVATIVE; PYRAZOLE DERIVATIVE; PYRIDINE DERIVATIVE; PYRROLE DERIVATIVE; THIADIAZOLE DERIVATIVE;

ARTICLE; COMPARATIVE MOLECULAR FIELD ANALYSIS; DRUG DESIGN; DRUG RECEPTOR BINDING; DRUG STRUCTURE; ENZYME ACTIVE SITE; HYDROGEN BOND; INTERMETHOD COMPARISON; MOLECULAR MODEL; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATISTICAL MODEL; X RAY CRYSTALLOGRAPHY;

BINDING SITES; CRYSTALLIZATION; CRYSTALLOGRAPHY, X-RAY; CYCLOOXYGENASE 2; CYCLOOXYGENASE 2 INHIBITORS; CYCLOOXYGENASE INHIBITORS; DRUG DESIGN; HUMANS; MEMBRANE PROTEINS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROSTAGLANDIN-ENDOPEROXIDE SYNTHASES; PYRAZOLES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 7744247282     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2004.07.003     Document Type: Article

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