Table 5.

Binding free energy calculated with MM-GBSA approach.

Compounds	ΔGbind (kcal/mol)	ΔGbind Coulomb	ΔGbind H-bond	ΔGbind Lipophilic	ΔGbind vdW	ΔGbind Covalent
Rutin	−37.19	−54.62	−5.43	−10.14	−35.75	6.31
Epicatechin	−28.49	−41.16	−4.5	−9.76	−25.39	3.38
Kaempferol	−32.36	−20.22	−3.58	−9.45	−27.52	1.26
Naringenin	−29.6	−30.43	−2.6	−6.4	−28.61	1.93
Acarbose	−67.10	−41.45	−7.45	−22.53	−55.50	6.25

Abbreviation: MM-GBSA, molecular mechanics–generalized Born surface area.