[关键词]
[摘要]
目的 探讨柴胡疏肝散治疗功能性消化不良的潜在分子机制。方法 通过TCMSP收集筛选柴胡疏肝散有效成分,通过PubChem和Swiss Target Prediction得到柴胡疏肝散的潜在靶点,利用GeneCards、OMIM、DisGeNET及DrugBank数据库得到功能性消化不良疾病靶点。采用Cytoscape 3.8.0软件构建柴胡疏肝散"中药-成分-靶点-疾病"网络,利用STRING数据库和Cytoscape 3.8.0软件构建蛋白-蛋白相互作用(PPI)网络;利用R软件进行GO分析和KEGG通路富集分析;运用Autodock软件进行分子对接,验证网络分析结果。结果 共筛选出132个柴胡疏肝散有效成分和448个作用靶点。得到2 244个疾病靶点,将功能性消化不良疾病靶标与柴胡疏肝散靶点取交集得到233个共同靶标。STAT3、AKT1、TP53、MAPK3、MAPK1等为柴胡疏肝散治疗功能性消化不良的关键靶点。GO功能富集共得3 371个条目(P<0.05)。KEGG通路分析共得到182条信号通路(P<0.05)。与功能性消化不良关系密切的有EGFR、PI3K-Akt、TNF和IL-17信号通路。结论 柴胡疏肝散可能在促进胃排空、促胃肠动力、改善抑郁状态,减轻炎症等方面发挥协同作用,改善功能性消化不良患者临床证候。
[Key word]
[Abstract]
Objective To reveal the molecular mechanism of Chaihu Shugan Powder in treatment of functional dyspepsia. Methods The effective compounds of Chaihu Shugan Powder were collected and screened by TCMSP, and the potential target of Chaihu Shugan Powder was obtained by PubChem and Swiss Target Prediction. Functional dyspepsia targets were obtained by GeneCards, OMIM, DisGeNET, and DrugBank databases. Cytoscape 3.8.0 software was used to construct the network of "TCM-component-target-disease" of Chaihu Shugan Powder, and the STRING database and Cytoscape 3.8.0 software were used to construct the protein-protein interaction (PPI) network. R software was used for GO analysis and KEGG pathway enrichment analysis. AutoDock software was used for molecular docking to verify the results of network analysis. Results Total of 132 effective compounds, 448 potential target of Chaihu Shugan Powder were screened out from the seven drugs. A total of 2 244 disease targets were screened out from the disease databases. 233 common targets were obtained by intersecting functional dyspepsia disease targets and Chaihu Shugan Powder targets. STAT3, AKT1, TP53, MAPK3, and MAPK1 are the hub targets of Chaihu Shugan Powder in treatment of functional dyspepsia. A total of 3 371 entries were obtained from GO functional enrichment (P<0.05). A total of 182 signaling pathways were obtained by KEGG pathway analysis (P<0.05). And EGFR, PI3K-Akt, TNF, and IL-17 signaling pathway were closely related to functional dyspepsia. Conclusion Chaihu Shugan Powder may promote gastric empties, improve gastroenteric movement and depression, reduce inflammation, and play a synergistic role in improving the clinical syndrome of functional dyspepsia patients.
[中图分类号]
R285
[基金项目]
天津市卫生和计划生育委员会中医中西医结合科研课题(2017126)