张天博 1崔晗 1迟慧彦 1宁博彪 1张宁馨 1宋坪1
作者信息
- 1. 中国中医科学院西苑医院,北京 100091
- 折叠
摘要
Abstract
Objective In order to explore the mechanism of action of compound Sheshecao formula in treating acneiform rash induced by epidermal growth factor receptor inhibitors(EGFRIs)based on network pharmacology and molecular docking.Methods The chemical components and corresponding targets of compound Sheshecao formula were obtained using the traditional Chinese medicine systems pharmacology database and analysis platform(TCMSP),and disease targets were obtained from the GeneCards database.The intersection of the above was used to obtain the intersection target of compound Sheshecao formula for treating acneiform rash induced by EGFRIs.Established a"drug ingredient-target-disease"network using Cytoscape 3.9.0 software,and built a protein interaction network of intersecting targets on the search toolfor the retrieval of interacting genes/proteins(STRING)platform.Perform gene ontology(GO)function and Kyoto encyclopedia of genes and genomes(KEGG)pathway enrichment analysis based on R language,and perform molecular docking validation based on AutoDock platform.Results Totally 55 chemical components of compound Sheshecao formula were obtained,there were 1480 disease targets;and 252 intersection targets were identified.Five main active ingredients,namely quercetin,kaempferol,β-sitosterol,luteolin,and baicalein,were screened out,along with ten core target genes including SRC,PIK3R1,PIK3CA,HSP90AA1,STAT3,PIK3CB,PIK3CD,AKT1,PTPN11 and EGFR.Enrichment analysis revealed that the mechanism of action may be related to the phosphatidy inositol-3-kinase(PI3K)-protein kinase B(Akt)signaling pathway,rat sarcoma(Ras)signaling pathway,and other pathways.Molecular docking showed that the main active ingredients had good docking activity with the core target genes.Conclusion The compound Sheshecao formula can act on targets genes such as SRC,PIK3R1,PIK3CA,HSP90AA1 through effective ingredients such as quercetin,kaempferol,and β-sitosterol,regulate signaling pathways such as PI3K-Akt and Ras,and exert therapeutic effects on acneiform rash induced by EGFRIs.关键词
复方蛇舌草方/表皮生长因子受体抑制剂相关皮疹/网络药理学/分子对接Key words
Compound Sheshecao formula/Acneiform rash induced by epidermal growth factor receptor inhibitors/Network pharmacology/Molecular docking分类
医药卫生
