A theoretical study on the mechanism of camphor hydroxylation by compound I of cytochrome P450

Authors :: Kamachi, Takashi
Yoshizawa, Kazunari
Fattahi, Alireza
Chung, Gyusung
Kass, Steven R.
Gordon, Mark S.
Source :: Journal of the American Chemical Society. April 16, 2003, Vol. 125 Issue 15, p4652, 10 p.
Publication Year :: 2003
Abstract: Mechanistic and energetic aspects for the conversion of camphor to 5-exo-hydroxycamphor by the compound I iron-oxo species of cytochrome P450 are discussed from B3LYP DFT calculations. The reaction occurs in a two-step manner along the lines that the oxygen rebound mechanism suggests.

Subjects :: Density functionals -- Usage
Camphor -- Research
Camphor -- Mechanical properties
Cytochrome P-450 -- Research
Cytochrome P-450 -- Mechanical properties
Chemistry

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