In Vitro and In Silico Analysis of Bergenia ciliata and Mimosa pudica for Inhibition of α-Amylase

Table 6

Binding energy of compounds and interacting amino acid residues of the protein.

S.N.	Compounds	Docking score (kcal/mol)	Amino acid involved with distance (in A˚)	Interaction type
1	Acarbose	−7.3	TRP59 (3.57), GLN63 (2.27,2.83), ASP197 (2.04), GLU233 (2.07, 2.83), and ASP300 (2.18)	H-bond, pi-Sigma
2	Bergenin	−7.1	TRP59 (3.27), THR163 (3.47), LEU165 (4.22), ASP197 (2.74), and ASP300 (2.29), HIS305 (3.21)	H-bond, pi-pi stacked
3	Catechin	−8.6	TRP59 (4.78), GLN63 (2.68), ARG195 (3.08), GLU233 (2.32), ASP300 (3.89)	H-bond, pi-pi stacked, pi-anion
4	Allantion	−5.6	GLU233 (2.14), HIS299 (1.66), ASP300 (2.22)	H-bond
5	p-Coumaric acid	−6.0	TYR62 (4.55), GLN63 (1.29), ASP197 (4.93), ASP300 (2.71)	H-bond, pi-pi stacked, pi-anion
6	2-hydroxymethyl-chroman-4-one	−6.2	TRP59 (3.99), GLN63 (2.28), ASP300 (2.73)	H-bond, pi-pi stacked