Network Pharmacological Analysis of Qianliguang(Senecionis Scandentis Herba)in the Treatment of Psoriasis Vulgaris Based on High-performance Liquid Chromatography-Mass Spectrometry
Objective:To explore the mechanism of component-target-pathway action of Qianliguang(Senecionis Scandentis Herba)in the treatment of psoriasis vulgaris,and provide the basis for its further research.Methods:The blood components of Qianliguang(Senecionis Scandentis Herba)were detected by high performance liquid chromatography-mass spectrometry(HPLC-MS).The targets of blood components of Qian-liguang(Senecionis Scandentis Herba)were retrieved from the TCMIP database,and the targets of psoriasis vulgaris were retrieved from OMIM,DrugBank,GeneCards,and TTD databases.The intersection targets were ob-tained by drawing Venn map.String was used to construct the protein-protein interaction network of intersecting targets.Cytoscape 3.8.2 was used to construct the core blood components-intersection targets network of Qian-liguang(Senecionis Scandentis Herba).Metascape was used for GO and KEGG enrichment analysis.AutoDock-Tools 1.5.7 was used for molecular docking and PyMOL was used for visualization.Results:A total of 50 blood components of Qianliguang(Senecionis Scandentis Herba)were obtained,including 9 core components.There were 85 targets for core blood components and 1175 targets for psoriasis vulgaris,with 18 intersecting targets.The key targets HSP90AA1,ESRI,and AKT1 were obtained by the PPI network.The main components Kaempferol and Quercetin were obtained of the core blood components-intersection targets network of Qianliguang(Senecionis Scandentis Herba).The key signal pathways such as PI3K-Akt were obtained by KEGG enrichment analysis.Go enrichment analysis mainly involved biological processes such as response to hormones,regulation of inflammatory response,cellular response to lipids,and etc.The cell composition mainly involved transcription regulator complex,vesicle lumen,secretory granule lumen,and etc.The molecular functions mainly involved kinase binding,protein kinase binding,protein kinase activity,and etc.The binding energies of Kaempferol and Quercetin to the core target AKT1 molecule were-6.59 kcal/mol and-6.67 kcal/mol,respectively.Conclusions:The core blood components of Qianliguang(Senecionis Scandentis Herba),such as Kaempferol and Quercetin,may act on the PI3K-Akt signaling pathway through the AKT1 target and exert therapeutic effects on psoriasis vulgaris.
万方数据
维普
