Table 3.
Compound | Fitness value | Binding energy (Kcal) |
||||
---|---|---|---|---|---|---|
Van der Waals | H-Bond | Electrostatic | Intra energy | Total | ||
G-Rg3-RXRα | −150.92 | −107.609 | −42.9015 | 0.00 | −0.411051 | −150.9225 |
G-Rg3-PPARγ | −148.76 | −117.8729 | −30.5698 | 0.00 | −0.3259 | −148.7686 |
9-cis-RA-RXRα | −94.29 | −83.75 | −8.67 | −1.72 | −0.150 | −94.290 |
G-Rg3, ginsenoside Rg3; PPARγ, peroxisome-proliferating receptor γ; RA, retinoic acid; RXRα, retinoid X receptor.