Table 2.

Molecular Docking results of the Active α-glucosidase Inhibitors.

Compounds	Docking Score (kcal/mol)	Protein-Ligand Interaction
		Ligand Atom	Receptor Atom	Interaction	Distance (Å)
5k	−7.51	N9 O8 6-ring	OE2-GLU277 NE2-HIS351 CE1-PHE178	HBD HBA π-H	1.97 1.74 3.21
4h	−6.98	N9 O8 6-ring	OE2-GLU277 NE2-HIS351 CD2-TYR158	HBD HBA π-H	1.84 1.69 2.72
5h	−6.71	O8 6-ring	NH2-ARG213 6-ring-PHE303	HBA π-π	2.65 2.49
4d	−6.41	N9 N11	OD1-ASP215 NE2-HIS351	HBD HBA	1.80 1.95
4b	−6.04	O26 6-ring	NE-ARG213 6-ring-PHE303	HBA π-π	3.09 3.75
5i	−5.70	N9 O8 6-ring	OE1-GLU277 NE2-HIS351 6-ring-PHE303	HBD HBA π-π	2.53 2.26 2.52
4g	−5.36	N9 O8	OE2-GLU277 NE2-HIS351	HBD HBA	2.62 2.67
5m	−5.70	N9 O8 6-ring 6-ring 6-ring	OE2-GLU277 ND2-ASN350 6-ring-TYR347 6-ring-PHE301 6-ring-PHE178	HBD HBA π-π π-π π-π	2.82 2.98 3.75 3.27 3.59
4i	−5.69	O8	NH2-ARG213	HBA	2.67
5n	−5.24	N9 O8	OE2-GLU277 NE2-HIS351	HBD HBA	1.84 1.70
5l	−5.70	N9 O8	OE2-GLU277 NE2-HIS351	HBD HBA	1.82 1.71
4l	−5.59	N9 O8	OE2-GLU277 NE2-HIS351	HBD HBA	2.09 2.59
4p	−5.59	N18 N17	OD1-ASP215 NE2-HIS351	HBD HBA	1.71 1.95
4j	−5.36	O8 O46	NE2-HIS351 OH-TYR347	HBA HBA	2.28 2.09
4m	−5.44	N9 O8	OE2-GLU277 NE2-HIS351	HBD HBA	1.95 1.73
4o	−2.12	O8	OH-TYR347	HBA	2.05
1	−5.11	N11 O8 6-ring	OD2-ASP69 NH1-ARG442 CD2-TYR158	HBD HBA π-H	1.96 1.93 3.64
5j	−4.77	N9 O8	OE2-GLU277 NE2-HIS351	HBD HBA	1.82 1.69
5c	−4.27	N9 O8	OE2-GLU277 NE2-HIS351	HBD HBA	1.85 1.70
5d	−4.24	6-ring 6-ring	CG-GLU277 6-ring-PHE303	π-H π-π	3.03 2.58
4c	−4.21	N9 O46 O8	OD1-ASP215 OD2-ASP352 NE2-HIS351	HBD HBD HBA	1.80 1.83 2.62
5g	−3.48	6-ring	6-ring TYR72	π-π	2.80
5f	−3.12	N9 O8	OE2-GLU277 NE2-HIS351	HBD HBA	2.08 2.44
4k	−3.50	O8	NH1-ARG442	HBA	2.46
4n	−3.64	N9	OD1-ASP215	HBD	2.73
4f	−3.36	6-ring	6-ring-PHE303	π-π	3.69

HBA = Hydrogen bond acceptor, HBD = Hydrogen bond donor.