Table 4.

Energies between ligand and protein in complexes (kcal/mol).

Energies	Puerarin-AKT1	Puerarin-ALB	Puerarin-IL6	Puerarin-NFKB1
Van der Waals energy (VDWAALS)	−42.59	−39.93	−41.74	−30.49
Electrostatic energy (EEL)	0.00	−6.26	−7.85	−3.52
Polar solvation free energy (EPB)	12.88	21.98	26.12	14.69
Nonpolar solvation free energy (ENPOLAR)	−0.17	−3.07	−2.85	−2.40
Molecular mechanics term (GGAS)	−42.59	−46.19	−49.59	−34.01
Molecular solvation term (GSOLV)	12.72	18.91	23.26	12.29
Total binding free energy (TOTAL)	−29.88	−27.28	−26.33	−21.72