Structure-Function Analysis of the Cytochromes P450, Responsible for Phenprocoumon Metabolism
Phenprocoumon is an oral anticoagulant used for the pro- phylaxis and treatment of disorders due to thrombosis. However, if oral anticoagulants are not metabolized, they could exacerbate and generate clotting disorders. Phenprocoumon is metabolized by at least four hepatic enzymes members of the cyt...
| Autores: | , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2017 |
| País: | México |
| Institución: | Benemérita Universidad Autónoma de Puebla |
| Repositorio: | Redalyc-BUAP |
| OAI Identifier: | oai:redalyc.org:47554335010 |
| Acceso en línea: | https://www.redalyc.org/articulo.oa?id=47554335010 |
| Access Level: | acceso abierto |
| Palabra clave: | Química CYP450 CYP2C9 Docking Structure Phenprocoumon |
| Sumario: | Phenprocoumon is an oral anticoagulant used for the pro- phylaxis and treatment of disorders due to thrombosis. However, if oral anticoagulants are not metabolized, they could exacerbate and generate clotting disorders. Phenprocoumon is metabolized by at least four hepatic enzymes members of the cytochromes P450 family; three of which are members of the same subfamily (CYP2C9, CYP2C19 and CYP2C8). Even with too many differences in their amino acid sequence and tertiary structures, CYP2C9 and CYP3A4 have the most similar metabolic activity on phenprocoumon. In this study, we were able to explain these activity similarities using force fields of molec - ular mechanics for geometry and energy optimization in combination with docking techniques. The results were compared to study Struc- ture-Function Relationships (SFR) of our four target proteins (CY - P2C9, CYP2C19, CYP2C8 and CYP3A4). The study and prediction of metabolism and sites of metabolisms of drugs was successfully per - formed using this approach. |
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