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Issue 3, 2007
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Reactivity patterns of cytochrome P450 enzymes: multifunctionality of the active species, and the two states–two oxidants conundrum

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Abstract

Covering: up to 2006 but not exhaustively

This focused review discusses mechanisms of oxygenation of organic compounds by cytochrome P450, based on density functional theory (DFT) and hybrid DFT and molecular mechanics (DFT/MM). The reactivity of the active species, Compound I, generally involves two-state reactivity (TSR) and sometimes multi-state reactivity (MSR). The reactivity of the ferric-hydroperoxide species (Compound 0) is reviewed too. According to DFT calculations, Compound 0 must be silent in the presence of Compound I. Much of the experimental mechanistic data is shown to be accounted for by the TSR/MSR concept.

Graphical abstract: Reactivity patterns of cytochrome P450 enzymes: multifunctionality of the active species, and the two states–two oxidants conundrum

  • This article is part of the themed collection: Heme
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Article information


Submitted
16 Mar 2007
First published
23 Apr 2007

Nat. Prod. Rep., 2007,24, 533-552
Article type
Review Article

Reactivity patterns of cytochrome P450 enzymes: multifunctionality of the active species, and the two states–two oxidants conundrum

S. Shaik, H. Hirao and D. Kumar, Nat. Prod. Rep., 2007, 24, 533
DOI: 10.1039/B604192M

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