Journal of Food Quality / 2021 / Article / Tab 3

Research Article

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.

MyricetrinDihydromyricetin

C-score44
T-score4.16194.6978
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 interactions93
Amino acid residues involved in hydrogen bondsArg315, Gln353, Asp352, Arg213, Asp69, Tyr158, Asn415Asp215, Asn350, Gln353
H-bond donorArg315, Gln353, Asn415, Arg213, Asp69Asn350, Gln353
H-bond receptorAsp352, Tyr158Asp215
Average distance (Å)2.17202.0623
Number of hydrophobic interactions910
Amino acid residues involved in hydrophobic interactionsAsp307, Arg315, Phe159, Tyr158, Glu411, Phe178, Tyr72, Arg442, Phe303Phe303, Gln353, Asp215, Tyr158, Phe178, Glu277, His112, Tyr72, Val216, Asp352

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