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Quantum Mechanics/Molecular Mechanics Studies on the Relative Reactivities of Compound I and II in Cytochrome P450 Enzymes
The cytochromes P450 are drug metabolizing enzymes in the body that typically react with substrates through a monoxygenation reaction. During the catalytic cycle two reduction and protonation steps generate a high-valent iron (IV)-oxo heme cation radical species called Compound I. However, with suff...
Autores principales: | Postils, Verònica, Saint-André, Maud, Timmins, Amy, Li, Xiao-Xi, Wang, Yong, Luis, Josep M., Solà, Miquel, de Visser, Sam P. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6073316/ https://www.ncbi.nlm.nih.gov/pubmed/29986417 http://dx.doi.org/10.3390/ijms19071974 |
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