Catalytic Mechanism of Cytochrome P450 2D6 for 4-Hydroxylation of Aripiprazole: A QM/MM Study

Drug metabolism is an important issue in drug discovery. Understanding how a drug is metabolized in the body will provide helpful information for lead optimization. Cytochrome P450 2D6 (CYP2D6) is a key enzyme for drug metabolism and responsible for the metabolism of about one third marketed drugs....

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Veröffentlicht in:Chinese journal of chemistry 2013-09, Vol.31 (9), p.1219-1227
Hauptverfasser: Shi, Rongwei, Li, Weihua, Liu, Guixia, Tang, Yun
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Sprache:eng
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