Key binding interactions of compounds 5h and 5i with α-amylase protein.

Protein	Compound	Protein residue	Interaction unit of compounds	Type of interaction
α-Amylase (2QV4)	5h	ASP300	NH of amide	H-Bond
		HIS101	N of isoxazole	H-Bond
		LYS200	NO2	H-Bond
		ASP197	CH2	Carbon H-bond
		TYR62	Isoxazole	π–π stacked
		LEU162	Quinoxaline, –Cl	π–alkyl
		LEU165	Phenyl, quinoxaline	π–alkyl
		ILE235	NH of amide	π–alkyl
	5i	ASP300	NH of amide	H-Bond
		HIS305	NO2	Carbon H-bond
		ILE235	Phenyl	π–sigma
		TYR62	CH2CH3	π–sigma
		HIS201	Phenyl	π–π T-shaped/π–π stacked
		TRP58	Quinoxaline	π–π T-shaped/π–π stacked
		TRP59	Quinoxaline	π–π T-shaped/π–π stacked
		ALA198	–Cl	π–alkyl/alkyl
		LYS200	Phenyl	π–alkyl/alkyl
		LEU162	Isoxazole	π–alkyl/alkyl
			–Cl	π–alkyl/alkyl