Three-dimensional quantitative structure-Activity relationship analysis of inhibitors of human and rat cytochrome P4503A enzymes

Drug Metabolism and Pharmacokinetics

Volumn 28, Issue 4, 2013, Pages 345-355

  Handa, Koichi ^a,b   Nakagome, Izumi ^a   Yamaotsu, Noriyuki ^a   Gouda, Hiroaki ^a   Hirono, Shuichi ^a  

^a KITASATO UNIVERSITY   (Japan)

^b TOYAMA CHEMICAL CO LTD   (Japan)

Author keywords

3D QSAR; CYP3A1; CYP3A4; Drug inhibition; Drugdrug interaction; Structure based CoMFA

Indexed keywords

CIMETIDINE; CYTOCHROME P450 3A1; CYTOCHROME P450 3A4; DILTIAZEM; FELODIPINE; FLUCONAZOLE; FLUOXETINE; FLUVOXAMINE; GUANIDINE; ISRADIPINE; KETOCONAZOLE; MIBEFRADIL; MICONAZOLE; NEFAZODONE; NELFINAVIR; NICARDIPINE; NIFEDIPINE; NORFLUOXETINE; QUININE; RANITIDINE; RITONAVIR; SAQUINAVIR; SERTRALINE; TERBINAFINE; VERAPAMIL;

ARTICLE; BINDING AFFINITY; COMPARATIVE MOLECULAR FIELD ANALYSIS; CONCENTRATION RESPONSE; DRUG POTENCY; DRUG STRUCTURE; ENZYME INHIBITION; ENZYME INHIBITOR INTERACTION; HUMAN; HYDROPHILICITY; HYDROPHOBICITY; IC 50; LIGAND BINDING; NONHUMAN; PREDICTIVE VALUE; PROTEIN STRUCTURE; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ANIMALS; CYTOCHROME P-450 CYP3A; DRUG INTERACTIONS; FLUCONAZOLE; FLUVOXAMINE; HUMANS; INHIBITORY CONCENTRATION 50; LIGANDS; MODELS, MOLECULAR; MOLECULAR DOCKING SIMULATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RATS; RITONAVIR; SAQUINAVIR;

EID: 84883166503     PISSN: 13474367     EISSN: 18800920     Source Type: Journal    
DOI: 10.2133/dmpk.DMPK-12-RG-133     Document Type: Article

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