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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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| Autors principals: | , , , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2011
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| Matèries: | |
| Accés en línia: | 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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