Inhibitory Effects of Myricetrin and Dihydromyricetin toward α-Glucosidase and Pancreatic Lipase with Molecular Docking Analyses and Their Interaction

Table 3

Docking parameters, hydrogen bonds, and hydrophobic interactions observed between flavonoids and α-glucosidase from molecular docking simulation analysis.

	Myricetrin	Dihydromyricetin
C-score	4	4
T-score	4.1619	4.6978
PMF-score	−192.4817	−126.1538
CHEM-score	−32.1584	−23.1931
G-score	−306.987	−162.9552
D-sore	−212.4343	−165.0354
Number of hydrogen interactions	9	3
Amino acid residues involved in hydrogen bonds	Arg315, Gln353, Asp352, Arg213, Asp69, Tyr158, Asn415	Asp215, Asn350, Gln353
H-bond donor	Arg315, Gln353, Asn415, Arg213, Asp69	Asn350, Gln353
H-bond receptor	Asp352, Tyr158	Asp215
Average distance (Å)	2.1720	2.0623
Number of hydrophobic interactions	9	10
Amino acid residues involved in hydrophobic interactions	Asp307, Arg315, Phe159, Tyr158, Glu411, Phe178, Tyr72, Arg442, Phe303	Phe303, Gln353, Asp215, Tyr158, Phe178, Glu277, His112, Tyr72, Val216, Asp352