In silico prediction of drug metabolism by P450

Current Drug Metabolism

Volumn 15, Issue 5, 2014, Pages 514-525

  Andrade, Carolina H ^a   Silva, Diego C ^a   Braga, Rodolpho C ^a,b  

^a FEDERAL UNIVERSITY OF GOIÁS   (Brazil)

^b FEDERAL UNIVERSITY OF RIO DE JANEIRO   (Brazil)

Author keywords

Cytochrome P450; Docking; Drug discovery; Ligand based; Metabolism; Prediction; Structure based

Indexed keywords

ALPHA NAPHTHOFLAVONE; AURANTIIN; BROMOCRIPTINE; CYTOCHROME P450; CYTOCHROME P450 1A1; CYTOCHROME P450 1A2; CYTOCHROME P450 2B6; CYTOCHROME P450 2C19; CYTOCHROME P450 2C9; CYTOCHROME P450 2D6; CYTOCHROME P450 3A4; DESOXYRITONAVIR DERIVATIVE; DRUG METABOLITE; DRUG METABOLIZING ENZYME; ERYTHROMYCIN; FLURBIPROFEN; KETOCONAZOLE; LASSBIO 294; NARINGENIN; PREGNANE X RECEPTOR; PRINOMASTAT; PROGESTERONE; QUERCETIN; RITONAVIR; RITONAVIR DERIVATIVE; RUTOSIDE; UNCLASSIFIED DRUG; UNINDEXED DRUG; VASODILATOR AGENT; WARFARIN; WATER;

AB INITIO CALCULATION; ALGORITHM; ARTIFICIAL NEURAL NETWORK; BINDING AFFINITY; COMPUTER MODEL; COMPUTER PREDICTION; DEALKYLATION; DRUG HYDROXYLATION; DRUG METABOLISM; DRUG METABOLISM ASSAY; DRUG TRANSFORMATION; EXPERT SYSTEM; HUMAN; HYDROXYLATION; LIGAND BINDING; MACHINE LEARNING; MEDLINE; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MOLECULAR RECOGNITION; NONHUMAN; OXIDATION; PHARMACOPHORE; PHYSICAL CHEMISTRY; PUBLICATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTUM MECHANICS; RANDOM FOREST; REVIEW; SUPPORT VECTOR MACHINE; XENOBIOTIC METABOLISM; CHEMICAL STRUCTURE; COMPUTER SIMULATION; DRUG DETOXIFICATION; DRUG INTERACTION; METABOLISM;

COMPUTER SIMULATION; CYTOCHROME P-450 ENZYME SYSTEM; DRUG INTERACTIONS; METABOLIC DETOXICATION, PHASE I; MODELS, MOLECULAR;

EID: 84903732128     PISSN: 13892002     EISSN: 18755453     Source Type: Journal    
DOI: 10.2174/1389200215666140908102530     Document Type: Review

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