An epoxidation mechanism of carbamazepine by CYP3A4

Bioorganic and Medicinal Chemistry

Volumn 16, Issue 9, 2008, Pages 5134-5148

  Hata, Masayuki ^a   Tanaka, Yoshikazu ^a   Kyoda, Naoko ^a   Osakabe, Taisuke ^a   Yuki, Hitomi ^a   Ishii, Itsuko ^a   Kitada, Mitsukazu ^b   Neya, Saburo ^a   Hoshino, Tyuji ^a  

^a CHIBA UNIVERSITY   (Japan)

^b CHIBA UNIVERSITY HOSPITAL   (Japan)

Author keywords

Density functional theory; Hydroxylation; Potential energy; Rate determining step

Indexed keywords

AROMATIC COMPOUND; CARBAMAZEPINE; CARBON; CYTOCHROME P450 3A4; EPOXIDE; OXYGEN;

ARTICLE; CHEMICAL BOND; DENSITY FUNCTIONAL THEORY; DRUG HYDROXYLATION; DRUG METABOLISM; ENERGY; ENZYME SUBSTRATE COMPLEX; EPOXIDATION; QUANTUM MECHANICS; REACTION ANALYSIS; THEORETICAL STUDY;

EID: 84961971270     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2008.03.023     Document Type: Article

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