基于网络药理学及分子对接技术探讨附子五苓散治疗胃癌的作用机制

To explore the mechanism of fuzi Wulingsan in the treatment of gastric cancer based on network pharmacology and molecular docking

目的基于网络药理学及分子对接技术探讨附子五苓散治疗胃癌的作用机制,为后期实验研究提供理论依据。方法运用中药系统药理学分析平台、GeneCards和OMIM等数据库筛选获得附子五苓散的有效活性成分和胃癌潜在靶点;通过Cytoscape3.8.2构建“药物-活性成分-作用靶点”网络图及蛋白相互作用网络图。对共同靶点进行基因本体生物学过程富集分析和基因相互作用通路分析。通过SYBYL软件将配体和受体进行对接,验证附子五苓散治疗胃癌的有效性。结果通过筛选得到,附子五苓散有效活性成分66个,附子五苓散-胃癌的共同靶点23个,主要通过调控CASP8,NR3C1,RELA,JUN,ESR1,PTGS2等靶基因及p53信号通路、IL-17信号通路和TNF信号通路等发挥治疗胃癌的作用。结论附子五苓散可能通过β-谷甾醇、乙酰氧基苍术酮、石防风素、花旗松素等活性成分作用于CASP8,NR3C1,RELA,JUN,ESR1,PTGS2等靶点调节多条通路治疗胃癌。

Objective To explore the mechanism of fuzi Wulingsan in the treatment of gastric cancer based on network pharmacology and molecular docking technology,and to provide theoretical basis for later experimental research.Methods The active ingredients and potential targets of Fuzi Wulingsan in gastric cancer were screened by TCMSP,GeneCards and OMIM databases.The"drug-active component-action target"network diagram and PPI network were constructed through Cytoscape3.8.2.GO enrichment analysis and KEGG pathway analysis were performed on the common targets.The ligand and receptor were docked by SYBYL software to verify the effectiveness of Fuzi Wulingsan in the treatment of gastric cancer.Results Through screening,there are 66 active ingredients in Fuzi Wulingsan and 23 common targets of Fuzi Wulingsan for gastric cancer.The treatment of gastric cancer was mainly by regulating target genes such as CASP8,NR3 C1,RELA,JUN,ESR1,PTGS2 and p53 signaling pathway,IL-17 signaling pathway and TNF signaling pathway.Conclusion Fuzi Wulingsan may regulate multiple pathways in the treatment of gastric cancer throughβ-sitosterol,acetoxylatractyloxone,citrulin,and other active ingredients acting on CASP8,NR3 C1,RELA,JUN,ESR1,PTGS2 and other targets.