Substrate selectivity of drug-metabolizing cytochrome P450s predicted from crystal structures and in silico modeling

Drug Metabolism Reviews

Volumn 44, Issue 1, 2012, Pages 1-17

  Dong, Dong ^a   Wu, Baojian ^a  

^a UNIVERSITY OF HOUSTON   (United States)

Author keywords

CoMFA; crystal structure; CYPs; Drug metabolism; in silico modeling; pharmacophore

Indexed keywords

ALPHA NAPHTHOFLAVONE; AMFEBUTAMONE; AMIODARONE; CAFFEINE; COUMARIN; CYTOCHROME P450; CYTOCHROME P450 1A2; CYTOCHROME P450 1B1; CYTOCHROME P450 2A6; CYTOCHROME P450 2B6; CYTOCHROME P450 2C8; CYTOCHROME P450 2C9; CYTOCHROME P450 2D6; CYTOCHROME P450 2E1; CYTOCHROME P450 3A4; DAPSONE; ESTRADIOL; ETHOXYRESORUFIN; FLURBIPROFEN; MELATONIN; MEPHENYTOIN; NAPROXEN; NICOTINE; PACLITAXEL; PARACETAMOL; PROPRANOLOL; QUINIDINE; TACRINE; THEOPHYLLINE; UNINDEXED DRUG;

BINDING AFFINITY; COMPUTER MODEL; CONFORMATIONAL TRANSITION; CRYSTAL STRUCTURE; DRUG METABOLISM; DRUG SELECTIVITY; ENZYME ACTIVE SITE; ENZYME SUBSTRATE COMPLEX; HUMAN; HYDROGEN BOND; HYDROPHOBICITY; LIPID MEMBRANE; MOLECULAR INTERACTION; MOLECULAR RECOGNITION; PHARMACOPHORE; REVIEW;

AMINO ACID SEQUENCE; CATALYTIC DOMAIN; CRYSTALLOGRAPHY, X-RAY; CYTOCHROME P-450 ENZYME SYSTEM; HUMANS; ISOENZYMES; LIGANDS; MODELS, MOLECULAR; MODELS, THEORETICAL; MOLECULAR SEQUENCE DATA; MOLECULAR STRUCTURE; PHARMACEUTICAL PREPARATIONS; PROTEIN CONFORMATION; SEQUENCE ALIGNMENT; SUBSTRATE SPECIFICITY;

EID: 84855890551     PISSN: 03602532     EISSN: 10979883     Source Type: Journal    
DOI: 10.3109/03602532.2011.645581     Document Type: Review

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