In Silico Study of the Resistance to Organophosphorus Pesticides Associated with Point Mutations in Acetylcholinesterase of Lepidoptera: B. mandarina, B. mori, C. auricilius, C. suppressalis, C. pomonella, H. armígera, P. xylostella, S. frugiperda, and S. litura
| Audiencia | Público en general | es_ES |
| Cobertura | México | es_ES |
| Fecha de ingreso | 2026-09-15T00:30:08Z | |
| Fecha de publicación | 2019-01-01 | |
| Resumen | An in silico analysis of the interaction between the complex-ligands of nine acetylcholinesterase (AChE) structures of Lepidopteran organisms and 43 organophosphorus (OPs) pesticides with previous resistance reports was carried out. To predict the potential resistance by structural modifications in Lepidoptera insects, due to proposed point mutations in AChE, a broad analysis was performed using computational tools, such as homology modeling and molecular docking. Two relevant findings were revealed: (1) Docking results give a configuration of the most probable spatial orientation of two interacting molecules (AChE enzyme and OP pesticide) and (2) a predicted ΔGb. The mutations evaluated in the form 1 acetylcholinesterase (AChE-1) and form 2 acetylcholinesterase (AChE-2) structures of enzymes do not affect in any way (there is no regularity of change or significant deviations) the values of the binding energy (ΔGb) recorded in the AChE–OPs complexes. However, the mutations analyzed in AChE are associated with a structural modification that causes an inadequate interaction to complete the phosphorylation of the enzyme. | es_ES |
| Doi | https://doi.org/10.3390/ijms20102404 | es_ES |
| URI | https://riuat.uat.edu.mx/handle/123456789/2097 | |
| Idioma | es | es_ES |
| Editorial | MDPI AG | es_ES |
| Relación | International Journal of Molecular Sciences | es_ES |
| URL relacionado | https://doi.org/10.3390/ijms20102404 | es_ES |
| Derechos | Acceso abierto (Metadatos de producción científica) | es_ES |
| Licencia | http://purl.org/coar/access_right/c_abf2 | es_ES |
| Fuente | International Journal of Molecular Sciences | |
| Título | In Silico Study of the Resistance to Organophosphorus Pesticides Associated with Point Mutations in Acetylcholinesterase of Lepidoptera: B. mandarina, B. mori, C. auricilius, C. suppressalis, C. pomonella, H. armígera, P. xylostella, S. frugiperda, and S. litura | es_ES |
| Tipo | Artículo | es_ES |
| Arbitrado | Ha sido Arbitrado | es_ES |
| Autor | Reyes-Espinosa, Francisco | |
| Autor | Méndez-Álvarez, Domingo | |
| Autor | Pérez-Rodríguez, Miguel A. | |
| Autor | Herrera-Mayorga, Verónica | |
| Autor | Juárez-Saldivar, Alfredo | |
| Autor | Cruz-Hernández, María A. | |
| Autor | Rivera, Gildardo | |
| Autor | Reyes-Espinosa, Francisco | es_ES |
| Autor | Méndez-Álvarez, Domingo | es_ES |
| Autor | Pérez-Rodríguez, Miguel A. | es_ES |
| Autor | Herrera-Mayorga, Verónica | es_ES |
| Autor | Juárez-Saldivar, Alfredo | es_ES |
| Autor | Cruz-Hernández, María A. | es_ES |
| Autor | Rivera, Gildardo | es_ES |
| Institución | Universidad Autónoma de Tamaulipas | |
| Institución | Universidad Autónoma de Tamaulipas | es_ES |
| Número | 10 | es_ES |
| Rango de páginas | 2404 | es_ES |
| URL relacionada | https://doi.org/10.3390/ijms20102404 | |
| Tipo de artículo | Indexado | |
| Tipo de artículo | Indexado | es_ES |
| Volumen | 20 | es_ES |