Quitinasas como un nuevo grupo de panalérgenos: un enfoque in silico desde sus bases estructurales e inmunológicas
Chitinases as a new group of pan allergens: an in silico approach to their structural and immunological basis
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Introducción: las quitinasas son enzimas modificadoras de quitina y se han reportado como alérgenos en plantas y poco en animales, aunque poseen reactividad cruzada debido a su alta conservación. Objetivo: explorar el potencial alergénico y el mimetismo molecular entre quitinasas de fuentes alergénicas comunes mediante bioinformática. Métodos: se utilizaron ElliPro y BepiPred para predecir epítopos de células B y T. Se realizaron estudios filogenéticos, de identidad y de conservación estructural con MEGA 5, PRALINE y Consurf. Se obtuvieron modelos 3D de quitinasas no reportadas en el Protein Data Bank mediante Swiss model. La capacidad de unión de ligandos se exploró con AutoDock Vina, utilizando Bisdionina C, Bisdionina F y Montelukast como ligandos. Resultados: la quitinasa de P. americana (Per a 12) comparte un 44% de identidad con homólogos en P. vannamei, ácaros e insectos, y una identidad moderada con la quitinasa humana. Se reveló una alta homología estructural. Un epítopo lineal entre los residuos 127 y 144 está altamente conservado en todas las quitinasas. Se predijeron tres epítopos de células T conservados. Las simulaciones de acoplamiento molecular revelaron el sitio activo y el potencial de unión de varios ligandos, identificando residuos críticos. Conclusión: proponemos a las quitinasas como un nuevo grupo potencial de panalérgenos, explicando casos de sensibilización a varias fuentes alérgenas. Dado su homología con proteínas humanas, merece una exploración inmunológica para apoyar su implicación en la respuesta autoinmune.
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