Metabolic stereoselectivity of cytochrome P450 3A4 towards deoxypodophyllotoxin: In silico predictions and experimental validation

European Journal of Medicinal Chemistry

Volumn 43, Issue 6, 2008, Pages 1171-1179

  Julsing, Mattijs K ^a   Vasilev, Nikolay P ^b   Schneidman Duhovny, Dina ^c   Muntendam, Remco ^a   Woerdenbag, Herman J ^a   Quax, Wim J ^a   Wolfson, Haim J ^c   Ionkova, Iliana ^b   Kayser, Oliver ^a  

^a UNIVERSITY OF GRONINGEN   (Netherlands)

^b MEDICAL UNIVERSITY OF SOFIA   (Bulgaria)

^c TEL AVIV UNIVERSITY   (Israel)

Author keywords

Automated docking; Cytochrome P450 3A4 (EC 1.14.14.1); Drug metabolism; Epipodophyllotoxin; Lignans

Indexed keywords

CYTOCHROME P450 3A4; DEMETHYLENEDEOXYPODOPHYLLOTOXIN; DEMETHYLENEPODOPHYLLOTOXIN; DEOXYPODOPHYLLOTOXIN; EPIPODOPHYLLOTOXIN; HYDROGEN; LIGNAN DERIVATIVE; MICONAZOLE; PODOPHYLLOTOXIN; TESTOSTERONE;

ALGORITHM; ARTICLE; AUTOANALYSIS; BIOTRANSFORMATION; COMPUTER MODEL; CONCENTRATION RESPONSE; DRUG HYDROXYLATION; DRUG MECHANISM; DRUG METABOLISM; ENZYME SUBSTRATE; MICHAELIS MENTEN KINETICS; OXIDATION; PREDICTION; PROTEIN INTERACTION; STEREOCHEMISTRY; VALIDATION STUDY;

ALGORITHMS; CHROMATOGRAPHY, HIGH PRESSURE LIQUID; CYTOCHROME P-450 CYP3A; HUMANS; MODELS, MOLECULAR; PODOPHYLLOTOXIN; RECOMBINANT PROTEINS;

EID: 44349130284     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2007.09.005     Document Type: Article

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