To predict the mechanism of Polygonum multiflorum Thunb. on attenuating lipid metabolism disorder by applying Network Pharmacology and Molecular Docking.

Using software ChemDraw, the chemical constituents of Polygonum multiflorum Thunb. were drawn and documented. Main active ingredients and potential targets of attenuating lipid metabolism disorder were screened out based on the databases like Swiss ADME, Swiss Target Prediction platform and Genecards, and DisGeNET. The drug-active ingredients-potential targets network structure model and PPI network are constructed through the software Cytoscape and STRING database, respectively. Potential targets were analyzed by GO enrichment analysis, KEGG pathway enrichment analysis and visualized. Using software PyMOL and AutoDock, the active ingredients were docked with core target molecules. The body weight and body fat rate of APP/PS1 mice with long-term intragastric administration were measured and the content of serum lipid (TG, TC, HDL-C, LDL-C) were detected.

A total of 30 active ingredients of Polygonum multiflorum Thunb. and 143 potential targets for the treatment of lipid metabolism disorder were obtained. The enrichment analysis shows that the common biological process of Polygonum multiflorum Thunb. and metabolic disorders are related to protein phosphorylation, protein binding, enzyme binding, protein kinase activity biological processes, and the signalling pathways of PI3K-Akt, HIF-1, estrogen are mainly involved in the major therapeutic role. Molecular docking predicts the stable connection structure between the active component and the core targets. The results of animal experiments showed that compared with the model group, there was no significant difference in weight between drug administered groups and the body fat rate decreased significantly (P<0.05). Steaming and sun-buring products had significant effect on the abnormal increase of TG and LDL-C, but crude Polygonum multiflorum Thunb. only had an impact on TG (P<0.05).

Polygonum multiflorum Thunb. has an significant lipid-attenuating effect. The mechanism is predicted to be related with three main active ingredients, including omega-hydroxytroxanin-8-methyl ether, Tricin and Kaempferolare, and PI3K-Akt, HIF-1 and Estrogen signaling pathways are affected through three core targets of EGFR, ESR1 and MMP9.