Table 4 Binding free-energy (ΔGbind) of TNF-alpha-zerumbone and TNF-alpha-α-humulene docked complex calculated using g_mmpbsa.
From: Zerumbone reduces proliferation of HCT116 colon cancer cells by inhibition of TNF-alpha
Energy parameters (kJ/mol) | Zerumbone (kJ/mol) | α-humulene (kJ/mol) |
|---|---|---|
van der Waal energy | −66.06 ± 43.07 | −53.12 ± 33.12 |
Electrostatic energy | −11.80 ± 16.70 | −8.12 ± 11.45 |
Polar solvation energy | 31.46 ± 34.61 | 24.13 ± 27.32 |
SASA energy | −5.70 ± 3.80 | −3.12 ± 2.21 |
Binding energy | −52.10 ± 38.67 | −40.23 ± 34.12 |
