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A QM/MM study of the active species of the human cytochrome P450 3A4, and the influence thereof of the multiple substrate binding
Cytochrome P450 3A4 is involved in the metabolism of 50% of all swallowed drugs. The enzyme functions by means of a high-valent iron-oxo species, called Compound I (Cpd I), which is formed after entrance of the substrate to the active site. We explored the features of Cpd I using hybrid quantum mech...
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| Main Authors: | , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2007
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2596655/ https://ncbi.nlm.nih.gov/pubmed/18020326 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp076401j |
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