In Silico Study of The Potential of Naturally Caffeoylquinic Acids From Lentinus Crinitus Basidiocarp With Zika Virus Inhibition Targets

Abstract

The methanolic extract of the fungus Lentinus crinitus was submitted to biological assays, identification of the chemical composition by LC-MS, and in silico study by molecular docking with all identified compounds. The test against Artemis salina reached LD50 > 1000 μg/mL within 24h, and total mortality within 48 hours; the antioxidant test 62.4% inhibition in 1.0 mg/mL was obtained. Only 16 compounds were identified from the LC-MS analysis based on the comparison of reports already recorded in the literature. Most of the compounds identified here are described for the first time in the genus Lentinus. These results showed that the fungus is a producer of different classes of secondary metabolites biologically active. The results of the molecular docking simulation of the identified phytochemicals presented 1,13,4-di-O-Caffeoylquinic, as the leading promising candidate in the inhibition of the Zika virus.