MOLECULAR DRUG DISCOVERY OF POTENTIAL INHIBITOR OF COVID–19 USING SEVERAL MEDICINAL PLANT INGREDIENTS: A PROMISING THERAPY FOR VIRAL DISEASE
DESCUBRIMIENTO MOLECULAR DE UN INHIBIDOR POTENCIAL DE COVID--19 UTILIZANDO VARIOS INGREDIENTES DE PLANTAS MEDICINALES: UNA TERAPIA PROMETEDORA PARA LAS ENFERMEDADES VIRALES
DOI:
https://doi.org/10.15446/rev.fac.cienc.v13n1.111288Keywords:
Covid19, medicinal plant, apigenine–7–glucoside, catechin, demethoxycurcumine, kaempferol, naringenin, oleuropein, quercetin (en)Covid19, planta medicinal, apigenina--7--glucósido, catequina, demetoxicurcumina, kaempferol, naringenina, oleuropeína, quercetina (es)
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Este artículo de investigación pretende investigar los compuestos de apigenina--7--glucósido, catequina, demetoxicurcumina, kaempferol, naringenina, oleuropeína y quercetina extraídos de bayas de Goji , té verde , cúrcuma , col china , cítricos , olivo y chile , respectivamente, como probable receptor antipandémico Covid19 derivado de plantas medicinales. Se han evaluado las propiedades fisicoquímicas, incluido el calor de formación, la energía libre de Gibbs, la energía electrónica y la distribución de la carga, de los sitios activos de los fármacos naturales que pueden proponerse para el tratamiento de Covid19. Estos fitoquímicos pueden unirse al sitio activo del fragmento de aminoácidos de la base de datos de Tyr160--Met161--His162 como zona selectiva del Covid19 debido a la formación de enlaces de hidrógeno. Los cálculos teóricos se realizaron en varios niveles de la teoría para ganar era más precisa de equilibrio resultados geométricos, y los datos espectrales IR para cada uno de los complejos propuestos drogas de N--terminal o O--terminal auto-cleavage sustrato se determinaron individualmente para dilucidar la flexibilidad estructural y sustrato de unión de siete plantas medicinales se unió al sitio activo de Covid19 molécula. La comparación de estas estructuras con dos configuraciones proporciona nuevos conocimientos para el diseño de Covid19 basado en el sustrato anti--objetivo. La optimización basada en la estructura de estos compuestos ha producido dos líderes más eficaces: los átomos N y O, a través de la formación de enlaces de hidrógeno, con el potente anti--COVID-19.
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