Evaluación In-sillico híbridos peptídicos de di-31 como posibles moduladores de defensa de las plantas mediante la activación FLS2
Palavras-chave:
FLS2; flagelina; híbridos esteroide-péptido; defensina; defensa de plantas.Resumo
Para controlar el estrés, las plantas deben equilibrar los procesos de crecimiento y
defensa a nivel molecular, un control sobre estos procesos permitiría a la humanidad desarrollar una agricultura eficiente y sostenible. Para potenciar la bioactividad de los esteroides, se utilizó la hibridación del bioestimulante esteroideo DI-31 con el γ-core del
antifúngico defensiva MtDef4 (GRCRGFRRRC) y se llevaron a cabo estudios de
acoplamiento molecular contra el receptor FLS2, como potencial para inducir una respuesta inmune en las plantas, junto a cálculos DFT que incluyeron un análisis de Orbitales Moleculares para los ligandos. También se estimaron los valores de pKd para el complejo ligando-proteína con la red neuronal NNScore 2,0. Los resultados mostraron la posibilidad de que el híbrido DI31-GMA4, pudiera ser reconocido por el receptor estudiado y posteriormente inducir la actividad biológica correspondiente como
estimulador de defensa.
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