Molecular docking analysis of 2k, 2m, 2r and 2s against α-glu and GK.

Evaluated compounds	Affinity energy (Kcal mol−1) α-Glu	Affinity energy (Kcal mol−1) GK	Interactions
2k	−8.6	−9.1	Hydrogen bond: Trp59, Asp300 and Asp197
			Electrostatic bond: Arg195, Asp197, Glu233 and Met210
			Hydrophobic bond: Tyr214, Met210, Met235 and Val455
2m	−8.6	−9.1	Hydrogen bond: Asp518, Arg600 and Tyr377
			Electrostatic bond: Asp616, Tyr377, Asn437 and Phe433
2r	—	−9.2	Hydrogen bond: Trp59 and Asp300
			Electrostatic bond: Glu233, Met210
			Hydrophobic bond: Tyr215, Trp99 and Val455
2s	−8.7	−10.9	Hydrogen bond: Arg600, Asp518 and Asp404
			Electrostatic bond: Met210
			Hydrophobic bond: Tyr214, Met235 and Val455