In silico methods for predicting ligand binding determinants of cytochromes P450

Current Topics in Medicinal Chemistry

Volumn 4, Issue 16, 2004, Pages 1803-1824

  de Groot, Marcel J ^a   Kirton, Stewart B ^b,d   Sutcliffe, Michael J ^c  

^a PFIZER INC   (United States)

^b ASTEX PHARMACEUTICALS   (United Kingdom)

^c UNIVERSITY OF LEICESTER   (United Kingdom)

^d De Novo Pharmaceuticals Ltd   (United Kingdom)

Author keywords

3D QSAR; Comparative models; Cytochrome P450; DMPK; Drug metabolism; Homology models; Pharmacophore models

Indexed keywords

ALCOHOL; ARACHIDONIC ACID; AROMATASE INHIBITOR; CARBAMAZEPINE; CYCLOSPORIN A; CYTOCHROME P450; CYTOCHROME P450 1A; CYTOCHROME P450 1A2; CYTOCHROME P450 2A5; CYTOCHROME P450 2A6; CYTOCHROME P450 2B; CYTOCHROME P450 2B1; CYTOCHROME P450 2B6; CYTOCHROME P450 2C8; CYTOCHROME P450 2C9; CYTOCHROME P450 2D6; CYTOCHROME P450 2E1; CYTOCHROME P450 3A4; DEBRISOQUINE; DICLOFENAC; HALOTHANE; HYPERICUM PERFORATUM EXTRACT; ISONIAZID; MIDAZOLAM; NIFEDIPINE; PHENYTOIN; PYRAZOLE; SULFAPHENAZOLE; TESTOSTERONE; UNINDEXED DRUG;

CATALYSIS; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPUTER ANALYSIS; COMPUTER MODEL; COMPUTER PROGRAM; DRUG METABOLISM; ENZYME METABOLISM; HUMAN; LIGAND BINDING; METHODOLOGY; NONHUMAN; PHARMACOPHORE; PHYSICAL CHEMISTRY; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REVIEW; STRUCTURE ACTIVITY RELATION;

AMINO ACID SEQUENCE; ANIMALS; COMPUTERS, MOLECULAR; CYTOCHROME P-450 ENZYME SYSTEM; HUMANS; LIGANDS; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; PHARMACEUTICAL PREPARATIONS; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SEQUENCE ALIGNMENT;

EID: 10644249977     PISSN: 15680266     EISSN: None     Source Type: Journal    
DOI: 10.2174/1568026043387061     Document Type: Review

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