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

Dhanasekaran Sivaraman, Pushparaj Selvadoss Pradeep.




Abstract
Cited by 7 Articles

Dengue viral infection becomes highly epidemic and rashes the economic stability of the most of the developing countries due to its wide prevalence and with limited therapeutic ailments. Alarming demographic data urge the need of development of new antiviral agents which are safe and efficacious. Present study was aimed at evaluating the antiviral potential of bioflavonoids (apigenin, hesperidin, kaempferol, myricetin, naringenin) against dengue virus non-structural (NS)5 RNA dependent RNA polymerase (RdRp) by AutoDock and tox prediction tools. Results of molecular docking analysis strongly suggested that the lead phytocomponents such as apigenin, hesperidin and kaempferol reveals potential RdRp inhibition as ascertained by its interaction with core active amino acid residues (710 SER, 729 ARG,737 ARG) on the target. Apigenin exhibited best binding affinity of −8.28 kcal/mol with RdRp followed by kaempferol (-7.00 kcal/mol), myricetin (-4.37 kcal/mol), naringenin(-4.35 kcal/mol) and hesperidin(-3.20 kcal/mol). Present research finding clearly advocates that plant derived bioflavonoids possess excellent antiviral property against selected target.

Key words: Dengue viral infection; Bioflavonoids; RNA dependent RNA polymerase inhibitors; Apigenin, Hesperidin; Kaempferol






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