Title:Myricitrin versus EGCG in the Treatment of Obesity: Target Mining and
Molecular Mechanism Exploring based on Network Pharmacology
Volume: 29
Issue: 24
Author(s): Peipei Yin, Jiangping Huang, Kang Yang, Chuang Deng and Lingguang Yang*
Affiliation:
- Jiangxi Provincial Key Laboratory of Natural Active Pharmaceutical Constituents, College of Chemical and Biological Engineering,
Yichun University, Yichun 336000, China
Keywords:
Myricitrin, anti-obesity, network pharmacology, EGCG, molecular mechanism, molecular docking.
Abstract:
Background: Myricitrin is a flavonol glycoside possessing beneficial effects on obesity, a rising
global health issue that affects millions of people worldwide. However, the involving target and mechanism remain
unclear.
Objective: In the present study, the anti-obesity targets and molecular mechanisms of Myricitrin, along with
another flavanol Epigallocatechin gallate (EGCG), were explored through network pharmacology, bioinformatics,
and molecular docking.
Methods: The potential targets for Myricitrin and EGCG were obtained from Pharmmaper, SwissTargetPrediction,
TargetNet, SEA, Super-PRED, TCMSP, and STICH databases. Meanwhile, DEG targets were retrieved
from GEO datasets, and obesity targets were collected from DrugBank, TTD, DisGeNet, OMIM, GeneCards,
PharmGKB, and CTD databases. GO and KEGG pathway enrichment analyses were conducted through Metascape
online tool. Protein-protein interaction (PPI) networks were also constructed for compound, DEG, and obesity
targets to screen the core targets through MCODE analysis. The further screened-out key targets were finally
verified through the compound-target-pathway-disease network, mRNA expression level, target-organ correlation,
and molecular docking analyses.
Results: In total, 538 and 660 targets were identified for Myricitrin and EGCG, respectively, and 725 DEG targets
and 1880 obesity targets were retrieved. GO and KEGG analysis revealed that Myricitrin and EGCG targets
were enriched in the pathways correlating with obesity, cancer, diabetes, and cardiovascular disease. Furthermore,
the intersection core targets for Myricitrin and EGCG function mainly through the regulation of responses
to hormones and involving pathways in cancer. Above all, androgen receptor (AR), cyclin D1 (CCND1),
early growth response protein 1 (EGR1), and estrogen receptor (ERS1) were identified as key targets in
the compound-target-pathway-disease network for both Myricitrin and EGCG, with significant different mRNA
expression between weight loss and control groups. Target-organ correlation analysis exhibited that AR
and CCND1 showed high expression in adipocytes. Molecular docking also revealed good binding abilities between
Myricitrin and EGCG, and all four receptor proteins.
Conclusion: The present research integrated network pharmacology and bioinformatics approach to reveal the
key targets of Myricitrin and EGCG against obesity. The results provided novel insights into the molecular
mechanism of Myricitrin and EGCG in obesity prevention and treatment and laid the foundations for the exploitation
of flavonoid-containing herbal resources.
