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

Drug Metabolism Reviews

Volumn 44, Issue 2, 2012, Pages 192-208

  Dong, Dong ^a   Wu, Baojian ^a   Chow, Diana ^a   Hu, Ming ^a  

^a UNIVERSITY OF HOUSTON   (United States)

Author keywords

CoMFA; Crystal structure; CYPs; Drug metabolism; in silico modeling; Pharmacophore

Indexed keywords

4 METHYLPYRAZOLE; ALITRETINOIN; ALPHA NAPHTHOFLAVONE; AMFEBUTAMONE; AMIODARONE; COUMARIN; CYTOCHROME P450; DAPSONE; DICLOFENAC; DRUG METABOLIZING ENZYME; ERYTHROMYCIN; ESTRADIOL; FELODIPINE; FLURBIPROFEN; INDAZOLE DERIVATIVE; KETOCONAZOLE; MELATONIN; MEPHENYTOIN; METHOXSALEN; METYRAPONE; MONTELUKAST; NAPROXEN; NICOTINE; PROGESTERONE; PROPRANOLOL; RITONAVIR; THEOPHYLLINE; TROGLITAZONE; UNINDEXED DRUG; WARFARIN;

COMPUTER MODEL; CRYSTAL STRUCTURE; DRUG METABOLISM; ENZYME SUBSTRATE; MOLECULAR RECOGNITION; PHARMACOPHORE; PREDICTIVE VALIDITY; REVIEW; X RAY CRYSTALLOGRAPHY;

AMINO ACID SEQUENCE; ANIMALS; BINDING SITES; CRYSTALLOGRAPHY, X-RAY; CYTOCHROME P-450 ENZYME SYSTEM; HUMANS; HYDROGEN BONDING; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; MODELS, MOLECULAR; MOLECULAR SEQUENCE ANNOTATION; PHARMACEUTICAL PREPARATIONS; PROTEIN STRUCTURE, SECONDARY; PROTEIN STRUCTURE, TERTIARY; SEQUENCE ALIGNMENT; SUBSTRATE SPECIFICITY;

EID: 84859732690     PISSN: 03602532     EISSN: 10979883     Source Type: Journal    
DOI: 10.3109/03602532.2011.645580     Document Type: Review

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