Theoretical study of the antioxidant capacity of the flavonoids present in the Annona muricata (Soursop) leaves

María F. Manrique-de-la-Cuba, Pamela Gamero-Begazo, Diego E. Valencia, Haruna L. Barazorda-Ccahuana, Badhin Gómez

Producción científica: Contribución a una revistaArtículorevisión exhaustiva

6 Citas (Scopus)

Resumen

A theoretical approach was used to evaluate the antioxidant capacity of 20 flavonoids reported in Annona muricata leaves. The theoretical study was at the GGA level using the wB97XD functional and the cc-pvtz basis set. The calculations were performed in gas phase and implicit solvent phase. The flavonol robinetin (03c) and the flavanol gallocatechin (01c) are species that exhibited the best antioxidant capacity in the HAT, SEPT, and SPLET mechanisms. On the other hand, in the SET I mechanism, flavonol quercetin (03b) was the best, and in the SET II mechanism, the most favored species is the flavanol catechin (01a). However, these species do not achieve to overcome the antioxidant capacity presented by the Trolox.

Idioma originalInglés
Número de artículo200
PublicaciónJournal of Molecular Modeling
Volumen25
N.º7
DOI
EstadoPublicada - 1 jul. 2019

Huella

Profundice en los temas de investigación de 'Theoretical study of the antioxidant capacity of the flavonoids present in the Annona muricata (Soursop) leaves'. En conjunto forman una huella única.

Citar esto