基于网络药理学与分子对接探讨薏苡仁-红曲治疗高血压、糖尿病、高脂血症的共同作用机制OA

Objective:To investigate the mechanism of Yiyiren-Hongqu(YYR-HQ)in treating hypertension,diabetes,and hyperlipidemia using network pharmacology and molecular docking.Methods:Active ingredients and potential tar-gets of YYR-HQ were identified via the TCMSP,SwissTargetPrediction,and Pharmaper databases.Hypertension,hy-perlipidemia,and diabetes targets were retrieved from the GeneCards,OMIM,and DisGeNET databases.Venny was used to identify intersecting targets between YYR-HQ and the three diseases,and Venn diagrams were generated.The STRING database was employed to construct a protein-protein interaction(PPI)network,which was visualized and an-alyzed using Cytoscape software to generate Chinese materia medica-active ingredient-target-disease gene network.Functional enrichment analysis(GO)and KEGG pathway analysis were performed using the Microbioinformatics plat-form.Molecular docking of key targets and major components was conducted via the CB-DOCK2 online tool to calculate binding affinity.Results:YYR-HQ contained 42 active ingredients and 880 potential targets.Hypertension,diabetes,and hyperlipidemia had 2 762,3 079,and 3 105 targets respectively,with 302 overlapping targets shared between YYR-HQ and the three diseases.Core genes in the PPI network included AKT1,EGFR,ESR1,IL6,TNF,and SRC.GO anal-ysis revealed 1 056 biological process terms,276 molecular function terms,and 111 cellular component terms.KEGG pathway enrichment identified 197 pathways,primarily involving the AGE-RAGE,MAPK,PI3K-Akt,VEGF,and ErbB signaling pathways.YYR-HQ ameliorates metabolic syndrome by modulating oxidative stress,endothelial dysfunction,lipid metabolism,and other pathways.Molecular docking confirmed strong binding between key components of YYR-HQ and core targets.Conclusion:YYR-HQ may ameliorates hypertension,diabetes,and hyperlipidemia through multi-component,multi-target,and multi-pathway mechanisms.