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Rationalization of stereospecific binding of propranolol to cytochrome P450 2D6 by free energy calculations
ABSTRACT: Cytochrome P450 2D6 is a major drug-metabolising enzyme with a wide substrate range. A single-point mutation introduced in this enzyme induces stereoselective binding of R and S-propranolol whereas the wild type has no preference. The system has previously been studied both experimentally...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Springer-Verlag
2012
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3509327/ https://www.ncbi.nlm.nih.gov/pubmed/23086294 http://dx.doi.org/10.1007/s00249-012-0865-x |