Chemical Composition, Antibacterial, Antifungal and Antidiabetic Activities of Ethanolic Extracts of Opuntia dillenii Fruits Collected from Morocco

Table 7

Docking results against human pancreatic α-amylase enzyme.

Compound	α-amylase (2qv4)
	Binding affinity (kcal/mol)	Involved residues	Type of interactions
Gallic acid	−6.4	Asp300, Glu233, Asp197, Tyr62, His299, His101, Arg195, Trp58, Leu165, Ala198	HB, Pi-anion, Pi-Pi stacked, VDW
p-Coumaric acid	−6.4	Asp197, Trp59, Gln63, Arg195, Tyr62, Asp300, Trp58, His299, Leu165, Glu60	HB, Pi-Pi stacked, UDD, VDW
Kaempferol	−8.7	Asp300, His305, Trp59, Trp58, Glu233, Asp197, Tyr62, His299, His101, Arg195	HB, Pi-anion, Pi-Pi stacked, VDW
Catechin	−8.8	Asp300, Asp197, Gln63, Tyr62, Trp59, Glu233, His299, His101, Arg195, Trp58, Leu165, Ala198, His305	HB, Pi-anion, Pi-Pi stacked, VDW
Naringin	−10.0	Asp300, Glu233, His299, Arg195, Asp197, Tyr62, Trp59, His305, Lys200, Ala198, Ala307, Leu162, Trp58, Ser199, Val234, His201, Ile235, Tyr151	HB, Pi-anion, Pi-Pi stacked, UAA, UDD, CHB, VDW
Chalcone	−7.8	Gln63, Trp59, Tyr62, Asp197, His305, Leu165, Trp58	HB, Pi-Pi stacked VDW
Acarbose	−8.2	Asp300, Asp353, Asp356, Glu233, Arg195, His101, His305, Tyr62, Asp197, His299, Ile235, Ala198, Leu162, Leu165, Trp58, Trp59, Trp357, Val354	HB, UAA, CHB, VDW

HB, Hydrogen bond; VDW, Van der waals forces; CHB, carbon hydrogen bond; UAA, unfavorable acceptor-Acceptor; UDD, unfavorable donor-donor.