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A theoretical study on the metabolic activation of paracetamol by cytochrome P-450: indications for a uniform oxidation mechanism

✍ Scribed by Koymans, Luc; Van Lenthe, Joop H.; Van de Straat, Ronald; Donne-Op den Kelder, Gabrielle M.; Vermeulen, Nico P. E.

Book ID
120208605
Publisher
American Chemical Society
Year
1989
Tongue
English
Weight
881 KB
Volume
2
Category
Article
ISSN
0893-228X

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A theoretical study on the oxidative met
A theoretical study on the oxidative metabolism of 4-chloroacetanilide by cytochrome P450: Alternative mechanisms for migration of 4-substituents during enzymatic oxidation
✍ L. M. H. Koymans; W. M. P. B. Menge; G. M. Donné-Op Den Kelder; J. M. Te Koppele 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 450 KB

## Abstract The oxidative metabolism of 4‐chloroacetanilide (4‐ClAA, 1) by cytochrome P450 has been studied theoretically using __ab‐initio__ energy and spin‐distribution calculations. A mechanism of oxidation for 4‐ClAA is proposed which is in accordance with recent views on the mechanism of metab