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Catalytic Mechanism of Cytochrome P450 for 5′-Hydroxylation of Nicotine: Fundamental Reaction Pathways and Stereoselectivity

A series of computational methods were used to study how cytochrome P450 2A6 (CYP2A6) interacts with (S)-(−)-nicotine, demonstrating that the dominant molecular species of (S)-(−)-nicotine in CYP2A6 active site exists in the free base state (with two conformations, SR(t) and SR(c)), despite of the f...

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Detalhes bibliográficos
Main Authors: Li, Dongmei, Huang, Xiaoqin, Han, Keli, Zhan, Chang-Guo
Formato: Artigo
Idioma:Inglês
Publicado em: 2011
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3096943/
https://ncbi.nlm.nih.gov/pubmed/21513309
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja111657j
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