Journal of Polyphenols ›› 2023, Vol. 5 ›› Issue (2): 60-70.

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Exploring the mechanism of hypolipidemic effect of polyphenols in wolfberry based on network pharmacology and molecular docking

  

  • Online:2023-12-20 Published:2023-12-19

Abstract: To explore the mechanism of hypolipidemic action of wolfberry polyphenols by using network pharmacology and molecular docking. The active ingredients and targets of wolfberry were searched by TCMSP, and the Cytoscape 3.9.0 software was used to construct a “ wolfberry component-target” network. The Gene Cards database was used to screen the hyperlipidemic targets and intersect them with the active targets of wolfberry to construct the PPI network using the STRING platform. The gene ontology (GO) function and Kyoto encyclopedia of genes and genomes (KEGG) pathway enrichment analysis of the core targets were carried out on the Metascape platform, and molecular docking of the active ingredients to the core targets was performed using AutoDockTools software. A total of 33 active ingredients and 173 potential targets of wolfberry were screened, including 99 targets related to hyperlipidemia. The results of the analysis of 99 intersecting targets with the components of wolfberry identifi ed the core active ingredients as quercetin, glycitein and atropine. The binding of the major components of wolfberry, including the polyphenolic compounds quercetin and glycitein, as well as atropine to the key targets AKT1, IL6 and TNF may be important mechanisms for the hypolipidemic therapeutic eff ect. GO functional enrichment analysis involves biological processes, cellular components, and molecular functions. The KEGG pathway enrichment analysis mainly involves the AGE-RAGE signaling pathway, fluid shear stress, and TNF signaling pathway. Molecular docking validated the good binding activity of the targets to the active ingredients. The binding of atropine and the polyphenolic compounds quercetin and glycitein to the key targets AKT1, IL6 and TNF may be an important mechanism for the hypolipidemic therapeutic effect of wolfberry.

Key words: wolfberry, polyphenolic compounds, hyperlipidemia, network pharmacology, molecular docking

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