基于网络药理学的四君子汤治疗胃炎的作用机制研究

目的通过网络药理学预测四君子汤治疗胃炎的主要活性成分和作用靶点,探讨其多成分-多靶点-多通路的潜在作用机制。方法通过中医药系统药理学数据库和分析平台(TCMSP)数据库收集四君子汤及其中4味中药党参、白术、茯苓、甘草的化学成分,经口服吸收率(OB)、类药性(DL)、半衰期(HL)3个条件筛选得到药物的有效成分,通过SwissTargetPrediction数据库进行有效成分靶点预测;同时从TTD、Drugbank和DisGeNET数据库对胃炎的靶点进行检索及筛选;成分靶点与疾病靶点映射后使用Cytoscape 3.2.1软件构建药物有效成分-靶点蛋白相互作用网络,使用String数据库绘制靶点蛋白-靶点蛋白相互作用网络;对靶点蛋白利用DAVID数据库进行GO分析和KEGG分析,构建核心有效成分-核心靶点-代谢通路网络图。结果从四君子汤中筛选出68个化学成分,涉及治疗胃炎的10个靶点;GO分析结果表明其涉及单孢素代谢过程、杂环代谢过程、药物代谢过程、药物分解过程、类固醇代谢过程等9个生物过程,涉及氧结合、单加氧酶活性、氧化还原酶活性等10个分子功能,包括细胞器膜、内质网膜等6个细胞组成;KEGG分析结果表明其可能通过药物代谢-细胞色素P450、亚油酸代谢、细胞色素P 450对外源性物质代谢的影响、神经活性配体与受体的相互作用、化学致癌、类固醇激素生物合成、视黄醇代谢7个信号通路治疗胃炎。结论四君子汤通过多靶点、多通路治疗胃炎,为今后分子机制的研究奠定一定的基础。

Study on mechanism of Four Gentlemen Decoction for treatment of gastritis based on network pharmacology

Objective To predict the main active ingredients and target of the treatment of gastritis by the network pharmacology, and to explore the potential mechanism of multi-component, multi-target and multi-pathway. Methods Through the database of pharmacology database and analysis platform(TCMSP) of Chinese medicine system, the chemical constituents of the four gentlemen soup and the 4 traditional Chinese medicine codonopsis, alfalfa, poria, and licorice were collected. The active ingredients of the drug were screened by three conditions: oral absorption rate(OB), drug-like properties(DL), and Half-Life(HL), and the target targets of the active components were predicted through the SwissTargetPrediction database;At the same time, the target points of gastritis are retrieved and screened from the TTD, Dragbank and DisGeNET databases;After mapping the component target with the disease target point, Cytoscape 3.2.1 software is used to construct the drug active component-target protein interaction network, and at the same time, the String database is used to draw the target protein-target protein interaction network;The target protein was analyzed by GO and KEGG using DAVID database, and the network map of core active ingredient-core target-metabolic pathway was constructed. Results 68 chemical components were selected from the four gentlemen’s soup, which involved 10 targets for the treatment of gastritis. GO analysis shows that it involves 9 biological processes such as monosporin metabolism process,heterocyclic metabolism process, drug metabolism process, drug decomposition process, steroid metabolism process, and 17 molecular functions such as oxygen binding, monooxygenase activity, and redoreductase activity., Including cell membrane,endoplasmic omentum and other 6 cells;The results of KEGG analysis show that it may be treated by drug metabolism-cytochrome P450, linoleic acid metabolism, cytochrome P450 exogenous substance metabolism, neuroactive ligand interaction with receptors,chemical carcinogenicity, steroid hormone biosynthesis, retinol metabolism 7 signal pathways Gastritis. Conclusion This study shows that Sijun Decoction can treat gastritis through multiple targets and multiple pathways to lay a certain foundation for the study of molecular mechanisms in the future.