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Estabilidad de NS5 resuelta por genotipo predice la aptitud del virus de la encefalitis japonesa

Hariprasad Thippeswamy¹, Varsha Ramesh¹, Kuralayanapalya Puttahonnappa Suresh²

¹ICAR- National Institute of Veterinary Epidemiology and Disease Informatics (NIVEDI), Bengaluru, Karnataka, 560119, India.

|February 23, 2026

Resumen

La proteína NS5 del genotipo G5 del virus de la encefalitis japonesa (VCE) muestra una mayor estabilidad y replicación. Las sustituciones específicas en la NS5 G5 ofrecen información para el desarrollo de mejores inhibidores y vacunas contra el VCE.

Área de la Ciencia:

Virología
Biología Estructural
Dinámica Molecular

Sus antecedentes:

El virus de la encefalitis japonesa (VCE) es una preocupación sanitaria importante en Asia.
El papel de las variaciones específicas del genotipo en la proteína NS5 del VCE sobre la aptitud viral requiere una mayor investigación.

Objetivo del estudio:

Investigar cómo las diferencias de secuencia entre los genotipos del VCE (G1-G5) afectan la estabilidad y el potencial de replicación de la proteína NS5.
Identificar sustituciones específicas dentro de la proteína NS5 que contribuyen a la aptitud viral.

Principales métodos:

Se utilizó un flujo de trabajo in silico que combina el perfil fisicoquímico, el mapeo de sustituciones a nivel de residuo y las simulaciones de dinámica molecular atomística.
Se comparó la estabilidad estructural y la dinámica conformacional de las proteínas NS5 en los genotipos G1-G5 del VCE.

Principales resultados:

La NS5 del genotipo G5 del VCE mostró una estabilidad estructural superior debido a un entorno electrostático equilibrado y redes robustas de enlaces de hidrógeno en comparación con otros genotipos.
La NS5 del genotipo G4 del VCE mostró una estabilidad reducida y desequilibrio de carga.
Las sustituciones específicas en la NS5 G5 (por ejemplo, Y65, M59, E182, T191) se relacionaron con una mejor compactación de la proteína, interacciones locales favorables y una eficiencia catalítica potencialmente mejorada, lo que se correlacionó con una mayor capacidad de replicación.

Conclusiones:

Las sustituciones vinculadas al genotipo en la proteína NS5 del VCE impactan directamente en su estabilidad, eficiencia de replicación y potencial adaptativo.
Los hallazgos proporcionan una explicación mecanicista para la creciente prevalencia de las cepas de VCE G5.
Priorizar las características de la NS5 G5 podría ayudar a diseñar inhibidores de moléculas pequeñas más efectivos y antígenos de vacunas de espectro más amplio contra el VCE.

Palabras clave:

Encefalitis Japonesa (EJ)Simulación MD Proteína no estructural-5 (NS5)Sustitución a nivel de residuo Modelado de estructura

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