Resumo

BELTRAN-DELGADO, Yaixa; ROJAS-VARGAS, Julio Alberto; MORALES-GONZALEZ, Isaac  e  MORRIS-QUEVEDO, Humberto Joaquín. Molecular docking of Pleurotus ostreatus phenolic compounds with redox balance proteins. Rev Cub Quim [online]. 2019, vol.31, n.3, pp. 336-353. ISSN 2224-5421.

Pleurotus sp is a genus of superior fungi, widely distributed worldwide and includes edible-medicinal species of economic importance. Within this genus is the species Pleurotus ostreatus, which has different biological properties with high potential for the treatment of non- trasmisible chronic diseases that currently constitute a serious health problem. In the present work, the interaction between the phenols reported for the Pleurotus ostreatus species with redox balance proteins is evaluated. Through a molecular docking, with the Autodock program and the protein database (PDB), thirteen phenols and three redox balance proteins (NFkB, NADPH -oxidase and COX-2) were used to visualize the degree of affinity between these and predict their best links. The results showed adequate values of ΔG, Ki with the interactions for quercetin and catechin.

Palavras-chave : phenols; in silico; Pleurotus ostreatus; redox proteins.

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