Table 3. The binding scores, RMSD values, distance, and receptor interactions of the most promising compounds (1, 3, 5, 6, 7, 8, and 9) were compared to the docked ligand [Acarbose and Evogliptin] and 5J7 as a reference for anti-diabetic evaluation.

Comp	Score (kcal mol−1)	RMSD	Interacting residues
			Ligand	Receptor	Interactions	Distance (Å)	E (kcal mol−1)
5J7 (reference)	−9.04865932	1.966	O 28	ND1 HIS 305 (A)	H-acceptor	2.93	−2.5
			O 62	OD1 ASP 300 (A)	H-donor	2.85	−2.0
			C 75	OE2 GLU 233 (A)	H-donor	3.41	−0.5
Acarbose	−8.39953136	1.470	O 81	OE1 GLU 233 (A)	H-donor	3.27	−1.3
			C 55	5-Ring TRP 59 (A)	H-pi	3.92	−0.6
			C 68	6-Ring TYR 62 (A)	H-pi	4.49	−0.7
			O 86	5-Ring HIS 101 (A)	H-pi	4.24	−1.0
Evogliptin	−6.45007515	1.603	C 36	6-Ring TYR 62 (A)	H-pi	4.24	−1.0
1	−6.04776144	1.365	O 11	OE2 GLU 233 (A)	H-donor	2.70	−1.7
			N 5	6-Ring TYR 62 (A)	H-pi	3.85	−0.8
3	−5.58074379	0.529	N 35	6-Ring TYR 62 (A)	H-pi	4.20	−1.8
5	−5.26979733	1.554	N 11	OE2 GLU 233 (A)	H-donor	2.98	−4.5
			N 33	OG1 THR 163 (A)	H-donor	3.04	−1.5
			N 16	NE2 HIS 299 (A)	H-acceptor	3.63	−1.0
6	−6.6096797	1.217	N 59	OE2 GLU 233 (A)	H-donor	2.99	−3.4
			C 49	5-Ring TRP 59 (A)	H-pi	4.23	−0.5
7	−5.78755617	1.989	N 43	OE1 GLU 233 (A)	H-donor	2.97	−3.9
8	−5.62768507	1.188	N 13	OE2 GLU 233 (A)	H-donor	2.90	−8.5
			O 30	NH2 ARG 195 (A)	H-acceptor	2.99	−2.4
			N 16	6-Ring TYR 62 (A)	H-pi	4.20	−0.8
9	−5.00731277	0.991	N 23	OE2 GLU 233 (A)	H-donor	2.88	−8.8