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- W1971252956 abstract "Human CYP3A4 catalyzes the 10,11-epoxidation of carbamazepine (CBZ). However, the epoxide is less stable in terms of potential energy than hydroxides of the six-membered aromatic ring. To clarify the reason why CYP3A4 produces such an energetically unfavorable compound, the mechanism of epoxidation of CBZ by CYP3A4 was investigated by theoretical calculations. The reaction consisted of two elementary processes in which two C–O bonds were generated stepwise. The rate-determining step was the first one and the activation energy was 21.3 kcal/mol at the DFT (B3LYP/6-31G∗∗) level. The activation energy level of the first step of the 10,11-epoxidation was lower than that of the hydroxylation of the aromatic ring. For this reason, 10,11-epoxidation is more probable than hydroxylation of the aromatic ring, and only 10,11-epoxide is formed." @default.
- W1971252956 created "2016-06-24" @default.
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- W1971252956 date "2008-05-01" @default.
- W1971252956 modified "2023-09-27" @default.
- W1971252956 title "An epoxidation mechanism of carbamazepine by CYP3A4" @default.
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- W1971252956 cites W1520746198 @default.
- W1971252956 cites W1964720506 @default.
- W1971252956 cites W1965844669 @default.
- W1971252956 cites W1969591990 @default.
- W1971252956 cites W1975206909 @default.
- W1971252956 cites W1975262546 @default.
- W1971252956 cites W1976161355 @default.
- W1971252956 cites W1976499671 @default.
- W1971252956 cites W1977396869 @default.
- W1971252956 cites W1977669558 @default.
- W1971252956 cites W1987642374 @default.
- W1971252956 cites W1987702006 @default.
- W1971252956 cites W1989203091 @default.
- W1971252956 cites W1989259429 @default.
- W1971252956 cites W1995262105 @default.
- W1971252956 cites W1997930564 @default.
- W1971252956 cites W2000051743 @default.
- W1971252956 cites W2000983010 @default.
- W1971252956 cites W2001314398 @default.
- W1971252956 cites W2010897322 @default.
- W1971252956 cites W2014919794 @default.
- W1971252956 cites W2017192110 @default.
- W1971252956 cites W2017964324 @default.
- W1971252956 cites W2021232512 @default.
- W1971252956 cites W2021502908 @default.
- W1971252956 cites W2023271753 @default.
- W1971252956 cites W2027757388 @default.
- W1971252956 cites W2028485079 @default.
- W1971252956 cites W2029867653 @default.
- W1971252956 cites W2033234270 @default.
- W1971252956 cites W2035082685 @default.
- W1971252956 cites W2035199159 @default.
- W1971252956 cites W2038083805 @default.
- W1971252956 cites W2042977757 @default.
- W1971252956 cites W2044769740 @default.
- W1971252956 cites W2044793333 @default.
- W1971252956 cites W2044961513 @default.
- W1971252956 cites W2045385945 @default.
- W1971252956 cites W2047468996 @default.
- W1971252956 cites W2051449483 @default.
- W1971252956 cites W2051639214 @default.
- W1971252956 cites W2052783618 @default.
- W1971252956 cites W2055776150 @default.
- W1971252956 cites W2058848030 @default.
- W1971252956 cites W2065895273 @default.
- W1971252956 cites W2070098436 @default.
- W1971252956 cites W2070150293 @default.
- W1971252956 cites W2070366769 @default.
- W1971252956 cites W2077621515 @default.
- W1971252956 cites W2084876499 @default.
- W1971252956 cites W2086823401 @default.
- W1971252956 cites W2087325592 @default.
- W1971252956 cites W2091733070 @default.
- W1971252956 cites W2092019850 @default.
- W1971252956 cites W2095474273 @default.
- W1971252956 cites W2100032379 @default.
- W1971252956 cites W2104180764 @default.
- W1971252956 cites W2105587896 @default.
- W1971252956 cites W2106140689 @default.
- W1971252956 cites W2106411950 @default.
- W1971252956 cites W2107029002 @default.
- W1971252956 cites W2128302372 @default.
- W1971252956 cites W2130440511 @default.
- W1971252956 cites W2130983257 @default.
- W1971252956 cites W2132273889 @default.
- W1971252956 cites W2143981217 @default.
- W1971252956 cites W2154598050 @default.
- W1971252956 cites W2156423252 @default.
- W1971252956 cites W2169655552 @default.
- W1971252956 cites W2314118227 @default.
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- W1971252956 doi "https://doi.org/10.1016/j.bmc.2008.03.023" @default.
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