Archivos suplementarios
Palabras clave
péptidos
SARS-CoV-2
interacción molecular Aromatic plants
peptides
SARS-CoV-2
molecular docking
Cómo citar
Resumen
SARS-CoV-2 es un coronavirus de ARN que causa infecciones respiratorias como la actual pandemia de COVID-19. Los sistemas de salud combaten esta infección con cuidados paliativos; sin embargo, existen pocos tratamientos específicos para este patógeno. Este contexto representa la posibilidad de buscar tratamientos alternativos, como el uso de moléculas naturales. El objetivo de este estudio fue determinar in silico la interacción de péptidos de plantas aromáticas con proteínas específicas de SARS-CoV-2 que no comprometan la respuesta inmune. Se procesaron quinientos ochenta y tres péptidos con menos de 30 aminoácidos de Thymus vulgaris L., Cymbopogon citratus, Salvia officinalis, Ocimum basilicum L y Zingiber officinale. La metodología aplicó filtros de acuerdo a los más altos puntajes de docking molecular para encontrar 20 péptidos por cada planta. Los péptidos registraron interacción molecular fuerte de los sitios activos de las proteínas Spike RBD, S2 y Nsp4, empleando una energía de menos de –150 kcal/mol. La proteína Nsp4 mostró la mayor interacción con todas las especies. El 35% y el 65% de estos péptidos se registraron con baja activación de la respuesta inmune a través de la antigenicidad, puntuación inferior a 0,5 y ausencia de alergenicidad. Estos resultados indican el uso de moléculas de origen vegetal que pueden implementarse en el consumo para combatir la replicación viral del SARS-CoV-2.
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