Molecular modeling study on chemically diverse series of cyclooxygenase-2 selective inhibitors: Generation of predictive pharmacophore model using Catalyst

Journal of Molecular Modeling

Volumn 14, Issue 11, 2008, Pages 1087-1099

  Chopra, Madhu ^a   Gupta, Ruby ^a   Gupta, Swati ^a   Saluja, Daman ^a  

^a UNIVERSITY OF DELHI   (India)

Author keywords

3D QSAR; Catalyst; Cyclooxygenase; Cyclooxygenase 2 inhibitors; Hypogen; NSAIDS; Pharmacophore

Indexed keywords

ALIPHATIC COMPOUND; ALKENE DERIVATIVE; AMINO ACID; AROMATIC COMPOUND; CELECOXIB; CYCLOOXYGENASE 2; CYCLOOXYGENASE 2 INHIBITOR; CYCLOPENTENE DERIVATIVE; HYDROGEN; IMIDAZOLE DERIVATIVE; INDOLE DERIVATIVE; OXAZOLE DERIVATIVE; PYRAZOLE DERIVATIVE;

ARTICLE; BIOLOGICAL ACTIVITY; COMPUTER PROGRAM; CONTROLLED STUDY; CORRELATION COEFFICIENT; COST BENEFIT ANALYSIS; DRUG BINDING SITE; DRUG SCREENING; DRUG STRUCTURE; ENTROPY; HYDROGEN BOND; HYDROPHOBICITY; MOLECULAR MODEL; NULL HYPOTHESIS; PHARMACOPHORE; PREDICTION; PRIORITY JOURNAL; STRUCTURE ANALYSIS; THREE DIMENSIONAL IMAGING; VALIDATION STUDY; VIRTUAL REALITY;

ALGORITHMS; CATALYSIS; COMPUTER SIMULATION; CYCLOOXYGENASE 2; CYCLOOXYGENASE 2 INHIBITORS; MODELS, MOLECULAR; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 53149137775     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-008-0350-8     Document Type: Article

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