Interacciones electrónicas entre beauvericina y residuos cuticulares de Leptinotarsa decemlineata: un análisis cuántico basado en el coeficiente de transferencia de electrones

José Arturo Olguín Rojas, Manuel González Pérez

Resumen


La beauvericina (BVC) es una enniatina con actividad insecticida cuyo mecanismo molecular de interacción con proteínas cuticulares permanece insuficientemente caracterizado. En este estudio se aplicaron la química cuántica semi-empírica (PM3) y el coeficiente de transferencia de electrones (CTE) para evaluar la reactividad electrónica entre BVC y los residuos de aminoácidos (AA) de la proteína cuticular AYA50038 de Leptinotarsa decemlineata. El análisis de orbitales de frontera, de la banda prohibida y del potencial electrostático reveló que la BVC actúa predominantemente como aceptor de electrones frente a AA polares y cargados (Glu, Asp, Gln, Asn y Ser), generando pozos cuánticos profundos que favorecen la estabilización del complejo. Esta afinidad electrónica sugiere que la toxina se retiene preferentemente en microambientes cuticulares polares, lo que facilita su penetración y contribuye a su actividad insecticida. Los resultados proporcionan una base mecanística para el diseño de estrategias biotecnológicas orientadas al control de L. decemlineata.

Recibido: 06/05/2026
Revisado: 24/06/2026
Aceptado: 31/08/2026


Palabras clave


Beauvericina; química cuántica; CTE; aminoácidos; Leptinotarsa decemlineata

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Referencias


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Depósito Legal: PPI200602ME2232
ISSN: 1856-5301

DOI: https://doi.org/10.53766/AVANQUIM

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