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

Table 4

Docking parameters, hydrogen bonds, and hydrophobic interactions observed between flavonoids and pancreatic lipase from molecular docking simulation analysis.

	Myricetrin	Dihydromyricetin
C-score	5	4
T-score	3.7803	3.9067
PMF-score	−105.3467	−79.0799
CHEM-score	−26.5111	−24.1416
G-score	−231.122	−171.9494
D-sore	−164.596	−131.2446
Number of hydrogen interactions	3	3
Amino acid residues involved in hydrogen bonds	Gly77, Asp80, Phe216	Gly77, Asp80, Tyr115
H-bond donor	Gly77	Gly77
H-bond receptor	Asp80, Phe216	Asp80, Tyr115
Average distance (Å)	2.2590	2.3867
Number of hydrophobic interactions	10	10
Amino acid residues involved in hydrophobic interactions	Phe78, Ile79, Asp80, Tyr115, Ser153, Ala179, Pro181, Val260, Ala261, His264	Phe78, Asp80, Tyr115, Ser153, Ala179, Pro181, Phe216, Val260, Ala261, Leu265