[關(guān)鍵詞]
[摘要]
目的 探討柴胡疏肝散治療功能性消化不良的潛在分子機制。方法 通過TCMSP收集篩選柴胡疏肝散有效成分,通過PubChem和Swiss Target Prediction得到柴胡疏肝散的潛在靶點,利用GeneCards、OMIM、DisGeNET及DrugBank數(shù)據(jù)庫得到功能性消化不良疾病靶點。采用Cytoscape 3.8.0軟件構(gòu)建柴胡疏肝散"中藥-成分-靶點-疾病"網(wǎng)絡(luò),利用STRING數(shù)據(jù)庫和Cytoscape 3.8.0軟件構(gòu)建蛋白-蛋白相互作用(PPI)網(wǎng)絡(luò);利用R軟件進行GO分析和KEGG通路富集分析;運用Autodock軟件進行分子對接,驗證網(wǎng)絡(luò)分析結(jié)果。結(jié)果 共篩選出132個柴胡疏肝散有效成分和448個作用靶點。得到2 244個疾病靶點,將功能性消化不良疾病靶標(biāo)與柴胡疏肝散靶點取交集得到233個共同靶標(biāo)。STAT3、AKT1、TP53、MAPK3、MAPK1等為柴胡疏肝散治療功能性消化不良的關(guān)鍵靶點。GO功能富集共得3 371個條目(P<0.05)。KEGG通路分析共得到182條信號通路(P<0.05)。與功能性消化不良關(guān)系密切的有EGFR、PI3K-Akt、TNF和IL-17信號通路。結(jié)論 柴胡疏肝散可能在促進胃排空、促胃腸動力、改善抑郁狀態(tài),減輕炎癥等方面發(fā)揮協(xié)同作用,改善功能性消化不良患者臨床證候。
[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.
[中圖分類號]
R285
[基金項目]
天津市衛(wèi)生和計劃生育委員會中醫(yī)中西醫(yī)結(jié)合科研課題(2017126)