A study on the mechanism of the Yanggan Yishui granules in treating hypertensive nephropathy based on network pharmacology and molecular docking
Objective:To study the mechanism of Yanggan Yishui granules(养肝益水颗粒)in treating hypertensive nephropathy by network pharmacology and and to verify it by molecular docking technology.Methods:Active compounds and targets of Yanggan Yishui granules were collected from the TCM System Pharmacology Database and Analysis Platform(TCMSP)and UniProt platform.Human relevant hypertensive nephropathy disease targets were obtained by using GEO database.The intersection target of drugs and diseases was taken as the therapeutic target.The protein-protein interaction network was constructed by String online platform.Cytoscape 3.9.1 software was used to select the core genes for treatment,and the enrichment analysis and results visualization were carried out.Finally,PyMol software was used to verify the molecular docking.Results:A total of 171 bioactive compounds,282 drug targets,715 targets of hypertensive nephropathy and 28 intersection targets of Yanggan Yishui granules were screened.The protein-protein interaction network was topologically analyzed and 27 related genes were obtained.The results of enrichment analysis suggested that Yanggan Yishui granules may play a role in the treatment of hyper-tensive-nephropathy by influencing AGE-RAGE signaling pathway,tumor necrosis factor signaling pathway,fluid shear stress and atherosclero-sis,degradation of valine,leucine and isoleucine,protein digestion and absorption in diabetic complications,and mapping the pathway.Five core genes and five main active components were selected for molecular docking.The results showed that the selected bioactive compounds had strong binding ability to the core genes.Conclusion:In this paper,PPI protein interaction,GO enrichment analysis,KEGG enrichment analysis,molecu-lar docking and pathway prediction are used for comprehensive analysis.Yanggan Yishui granules has a complex mechanism of multi-component,multi-target,and multi-pathway,which may reduce hypertensive renal damage by intervening TGF-β with PPARG.Related clinical studies have also shown that Yanggan Yishui granules has anti-inflammatory and proteinolytic effects.In conclusion,this study provides a theoretical basis for the clinical application of Yanggan Yishui granules in hypertensive kidney injury.
万方数据
维普
