In Silico Molecular Docking and In Vitro Antidiabetic Studies of Dihydropyrimido[4,5-a]acridin-2-amines

Table 8

The binding energy (Δ𝐺_BE) and intermolecular energy (Δ𝐺_intermol) of the structures 3d and 3e are given. The docking energy and binding energy are reported in Kcal/mol.

Structures	Δ𝐺BE	Δ𝐺intermol		Δ𝐺internal	Δ𝐺tor
		Δ𝐺vdw_hb_desol	Δ𝐺elec
𝛼-Amylase
3d	−4.52	−5.31	−0.40	−1.57	1.19
3e	−4.83	−5.35	−0.37	−1.54	0.89
𝛼-Glucosidase
3d	−6.51	−6.34	−1.37	−1.44	1.19
3e	−6.61	−6.95	−0.56	−1.41	0.89