Study on Mechanism of Xuanfei Zhenxin Recipe in Treating Heart Failure with Preserved Ejection Fraction Based on Network Pharmacology and Molecular Docking Technique
Objective:This study was to explore the mechanisms of Xuanfei Zhenxin recipe in the treatment of heart failure with preserved ejection fraction(HFpEF)based on network pharmacology and molecular docking technique.Methods:We searched in TCMSP database and published literature for bioactive chemical components of Huangqi(Radix Astragali),Ciwu-jia(Acanthopanax Senticosus),Hongjingtian(Rhodiola RoseaL),Danshen(Salvia Miltiorrhiza),Chuanxiong(Ligusticum Chuanxiong Hort),Fangji(Radix Stephaniae Tetrandrae),Shuihonghuazi(Fructus Polygoni Orientalis)and Yanhusuo(Rhi-zoma Corydalis)in the composition of Xuanfei Zhenxin recipe.And then the effective component targets were predicted by SwissTargetPrediction platform.By searching for HFpEF-related targets in the Genecards and OMIM databases,intersection with the targets related to the effective components of Traditional Chinese Medicine in Xuanfei Zhenxin recipe.Subsequently,we integrated above targets and used the Uniprot database for gene corrections.The intersection targets were imported into String to obtain a protein-protein interaction network(PPI),and the Cyoscape 3.7.0 software was used to select core targets and construct a"Traditional Chinese Medicine-Component-Target"network for carrying out topological analysis.With the help of Metascape,the intersection targets were used for gene ontology(GO)functional enrichment analysis and Kyoto Encyclope-dia of Genes and Genomes(KEGG)signal pathway enrichment analysis,and then,selected data was imported into a bioinfor-matics website for visualization.Finally,core targets and corresponding active components were screened for molecular doc-king.Results:We searched bioactive chemical components of traditional Chinese medicine in Xuanfei Zhenxin recipe through TCMSP database and published literature after predicting and deduplicating,390 relevant targets were obtained.By searching the Genecards and OMIM databases for HFpEF and deduplicating,2 053 disease targets were obtained,and 167 intersecting targets with the active ingredient targets of traditional Chinese medicine were identified.It turned out that 7 core targets,in-cluding TNF,IL-6,and IL-1β,were analyzed and screened by PPI network.The"Traditional Chinese Medicine-Component-Target"network analysis showed that quercetin,kaempferol,luteolin,and β-sitosterol were core active ingredients.GO func-tion enrichment analysis showed that it was mainly related to protein kinase activity,G protein-coupled amine receptor activity and oxidoreductase activity.By enrichment analysis of KEGG pathway,199 signal pathways were obtained.Conclusion:The effective ingredients of Xuanfei Zhenxin recipe,such as quercetin,kaempferol,luteolin,and β-sitosterol,may be involved in the intervention of myocardial remodeling and the improvement of cardiovascular disease prognosis in patients with heart failure with preserved ejection fraction by acting on core targets such as TNF,IL-6,and IL-1 β and signaling pathways such as cGMP-PKG,calcium,lipids,and atherosclerosis.
万方数据
维普
