Computational approaches that predict metabolic intermediate complex formation with CYP3A4 (+b5)

Drug Metabolism and Disposition

Volumn 35, Issue 9, 2007, Pages 1466-1475

  Jones, David R ^a   Ekins, Sean ^c,d   Li, Lang ^b   Hall, Stephen D ^a  

^a INDIANA UNIVERSITY SCHOOL OF MEDICINE   (United States)

^b WISHARD MEMORIAL HOSPITAL   (United States)

^c ACT LLC   (United States)

^d UNIVERSITY OF MARYLAND   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

14 HYDROXYCLARITHROMYCIN; 4 HYDROXYTAMOXIFEN; AMITRIPTYLINE; AMPHETAMINE; AMPRENAVIR; BROMPHENIRAMINE; CHLORPHENIRAMINE; CLARITHROMYCIN; CYTOCHROME P450 3A4; DEACETYLDILTIAZEM; DEALKYLVERAPAMIL; DESIPRAMINE; DILTIAZEM; DIPHENHYDRAMINE; DROLOXIFENE; ERYTHROMYCIN; FENFLURAMINE; FLUOXETINE; FLUVOXAMINE; IMIPRAMINE; INDINAVIR; LOPERAMIDE; LOPINAVIR; MIFEPRISTONE; NELFINAVIR; NORVERAPAMIL; PETHIDINE; PROADIFEN; RECOMBINANT ENZYME; UNINDEXED DRUG;

ARTICLE; COMPARATIVE STUDY; COMPLEX FORMATION; DRUG CLASSIFICATION; DRUG METABOLISM; DRUG STRUCTURE; ENZYME METABOLISM; ENZYME SUBSTRATE; HYDROGEN BOND; HYDROPHOBICITY; LOGISTIC REGRESSION ANALYSIS; MATHEMATICAL COMPUTING; MATHEMATICAL MODEL; METABOLIC INTERMEDIATE COMPLEX; MOLECULAR WEIGHT; MULTIPLE REGRESSION; PHARMACOLOGICAL PARAMETERS; PHARMACOPHORE; PHYSICAL CHEMISTRY; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SPECTROPHOTOMETRY;

ALGORITHMS; ANTI-BACTERIAL AGENTS; ANTINEOPLASTIC AGENTS; BIOTRANSFORMATION; CALCIUM CHANNEL BLOCKERS; CENTRAL NERVOUS SYSTEM AGENTS; CYTOCHROME P-450 ENZYME SYSTEM; FORECASTING; HIV PROTEASE INHIBITORS; HUMANS; LOGISTIC MODELS; MODELS, MOLECULAR; MODELS, STATISTICAL; MOLECULAR CONFORMATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 34548070044     PISSN: 00909556     EISSN: 1521009X     Source Type: Journal    
DOI: 10.1124/dmd.106.014613     Document Type: Article

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