Exploration of bioflavonoids targeting dengue virus NS5 RNA-dependent RNA polymerase: In silico molecular docking approach

ABSTRACT

Dengue viral infection becomes highly epidemic and rashes the economic stability of most of the developing countriesdue to its wide prevalence with limited therapeutic ailments. Alarming demographic data urge the need for thedevelopment of new antiviral agents which are safe and efficacious. This study aimed to evaluate the antiviral potentialof bioflavonoids (apigenin, hesperidin, kaempferol, myricetin, and naringenin) against dengue virus nonstructural(NS)5 RNA-dependent RNA polymerase (RdRp) by AutoDock and tox prediction tools. The results of moleculardocking analysis strongly suggested that the lead phytocomponents such as apigenin, hesperidin, and kaempferolreveal potential RdRp inhibition as ascertained by its interaction with core active amino acid residues (710 SER, 729ARG, and 737 ARG) on the target. Apigenin exhibited the best binding affinity of −8.28kcal/mol with RdRp, followedby kaempferol (−7.00 kcal/mol), myricetin (−4.37 kcal/mol), naringenin (−4.35 kcal/mol), and hesperidin(−3.20 kcal/mol). The present research finding clearly advocates that plant-derived bioflavonoids possess excellent antiviralproperty against the selected target.