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The Final Catalytic Step of Cytochrome P450 Aromatase: A Density Functional Theory Study

✍ Scribed by Hackett, John C; Brueggemeier, Robert W.; Hadad, Christopher M.


Book ID
120258707
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
709 KB
Volume
127
Category
Article
ISSN
0002-7863

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## Abstract Density functional theory calculations have been performed to elucidate the factors that influence the regioselectivity of toluene hydroxylation by a model of the active species of cytochrome P450 enzymes, so‐called Compound I (Cpd I). Cpd I can hydroxylate the benzylic C–H and generate