Research Article

Molecular Docking and Molecular Dynamics Simulation of Fisetin, Galangin, Hesperetin, Hesperidin, Myricetin, and Naringenin against Polymerase of Dengue Virus

Table 3

Docking scores and MM-GBSA binding free energies.

NoLigandDocking score (Kcal/mol)Binding energy (Kcal/mol)

1 (6)Myricetin−10.145−57.19
2 (1)Hesperidin−9.842−69.31
3 (4)Fisetin−9.796−60.65
4 (5)Quercetin−8.513−57.83
5 (7)Galangin−8.036−51.36
6 (3)Hesperetin−7.761−60.93
7 (2)Naringenin−5.634−64.90

Note. Number reflects order for docking score (number in parentheses reflects for MM/GBSA).