芪七连方治疗高血压的"成分-靶点-通路"网络构建及协同作用机制OA

Objective To investigate the molecular mechanism of Qiqilian Formula in treating hypertension.Methods UHPLC-MS/MS was employed to identify the components of Qiqilian Formula.Active components and their corresponding targets were predicted using the SWISS ADME and SWISS Target Prediction databases.Hypertension-related genes were obtained from the DisGeNET,DrugBank,GeneCards,OMIM,and TTD databases.Intersecting targets were derived by matching the predicted active component targets with hypertension-related gene targets.These intersecting targets were imported into the STRING database to predict the protein-protein interaction(PPI)network,and the cytoHubba plugin(MCC mode)in Cytoscape 3.9.1 was used to select the top 5 genes as core genes.GO and KEGG pathway enrichment analyses were performed using the Metascape database.Molecular docking was conducted between the core active components and core genes.Results A total of 65 active components and 803 corresponding targets were identified for Qiqilian Formula,along with 1 304 hypertension-related gene targets.The core active components of Qiqilian Formula were magnoflorine,naringenin,quercetin-3-methyl ether,and isorhamnetin.The core targets for treating hypertension included STAT3,PTPN11,and JAK1.Qiqilian Formula appears to regulate hypertension through pathways such as lipid and atherosclerosis,the PI3K/Akt signaling pathway,and the AGE-RAGE signaling pathway.Molecular docking results indicated favorable binding interactions between the core components and core targets,with binding energies≤-5.0 kcal·mol-1.Conclusion Qiqilian Formula exerts its preventive and therapeutic effects on hypertension through a multi-component,multi-target,and multi-pathway mechanism.