Table 4.

Binding energies of best docked compounds.

Energy Component	Adenine	Mollugin	Xanthohumol C	Sakuranetin	Toosendanin
Van der Waals	−45.61	−34.06	−39.19	−42.12	−44.71
Electrostatic	−41.95	−26.23	−37.69	−34.69	−33.96
Polar solvation	59.79	45.10	52.45	55.02	65.08
Nonpolar solvation	−4.40	−6.90	−5.32	−4.49	−7.70
Net gas phase	−78.23	−70.79	−61.12	−45.05	−59.45
Net solvation	60.28	55.17	46.41	61.77	45.31
Net complex energy	−35.52	−50.18	−45.41	−42.21	−50.45