Table 2.

MMPBSA energy summary of Ha006a complexed with ligands.

Complexes	Non-bonded interaction energy, ∆Enon-bonded (kcal/mol)		Solvation energy, ∆GSOLV (kcal/mol)		Enthalpy of binding, ∆H (kcal/mol)
	van der Waal energy, $\mathrm{\Delta }$EvdW	Electrostatic energy, $\mathrm{\Delta }$Eele	Polar component, $\mathrm{\Delta }$Gpolar/$\mathrm{\Delta }$GPB	Non-polar component, $\mathrm{\Delta }$Gnonpolar/$\mathrm{\Delta }$Gcavity
Donepezil	− 34.50	− 7.77	29.39	− 3.88	− 16.76
Protopine	− 17.77	− 2.86	11.84	− 2.42	− 11.21
3′,4′,5,7-Tetramethoxyflavone	− 35.48	− 6.92	42.74	− 3.92	− 3.58
Piperine	− 35.19	− 2.57	26.57	− 3.90	− 15.09
Triphenyl phosphate	− 36.46	− 13.87	37.31	− 3.44	− 16.45