Indole-carbohydrazide linked phenoxy-1,2,3-triazole-N-phenylacetamide derivatives as potent α-glucosidase inhibitors: design, synthesis, in vitro α-glucosidase inhibition, and computational studies

Table 2 Interaction mode details of the most potent compounds 11d and 11n

Compound	Binding energy	Interaction	Interacting unit of the ligand	Amino acid
11d	− 9.01	H-bond	NH–CO	Gly306
		Hydrophobic	1,2,3-triazol	Pro309
		Hydrophobic	1,2,3-triazol	Ser308
		H-bond	O of phenoxy linker	Thr307
		Hydrophobic	Phenyl of phenoxy linker	Arg312
		H-bond	C=N–NH–CO	Tyr313
		Hydrophobic	Indole	Arg312
		π–Anion	Indole	Asp408
11n	− 8.96	Hydrophobic	4-Br	Val316
		Hydrophobic	Pendant phenyl	Val305
		H-bond	NH–CO	Thr301
		Hydrophobic	1,2,3-triazol	Pro309
		π–Anion	1,2,3-triazol	Glu304
		Hydrophobic	Phenyl of phenoxy linker	Arg312
		H-bond	C=N–NH–CO	Phe157
		Hydrophobic	Indole	Phe300

ISSN: 2661-801X