摘要
目的基于网络药理学理念,探讨痛泻要方治疗腹泻型肠易激综合征(IBS-D)的作用机制。方法利用TCMSP与Pubchem数据库获取痛泻要方中各药物的活性成分及其平面结构图与结构式。通过Swiss TargetPrediction服务器和GeneCards获取痛泻要方治疗IBS-D的作用靶标及其UniProt ID。利用systemsDock在线工具进行核心靶标进行分子对接验证。利用KOBAS 3.0在线工具对作用靶标进行KEGG通路富集分析,并筛选出重要通路。结果共筛选出痛泻要方的有效成分25个,其可作用于101个靶标,主要是通过调控代谢、免疫等方面来发挥治疗IBS-D的作用。结论痛泻要方治疗IBS-D的作用机制呈多有效成分、多作用靶点、多通路的特性,为临床使用及进一步研究提供一定的理论依据。
Objective:To explore the mechanism of Tongxie Yaofang Decoction(TXYFD)for diarrhoeal irritable bowel syndrome(IBS-D)based on the network pharmacology.Methods:Active components in TXYFD were re⁃searched in TCMSP,and the Canonical SMILES and 2D structure of the active components were found from Pub⁃chem database.The targets of TXYFD treating IBS-D and their UniProt ID were screened by using SwissTarget⁃Prediction and GeneCards databases.Then,molecular docking between the potential targets and the effective com⁃ponents of TXYF was performed by Systems Dock Web Site.KEGG pathway analysis of the targets was carried out by KOBAS 3.0 online tool.Results:A total of 25 effective components were gathered and they act on 101 targets.KEGG analysis suggested that TXYF might impact metabolism,immune system,and so on to relieve the symptoms of IBS-D.Conclusion:The mechanism of TXYFD in the treatment of IBS-D is characterized by multiple active components,multiple targets,and multiple pathways,providing a certain theoretical basis for its clinical application and further research.
作者
孙玉霞
梁波
文黛薇
黄贤元
麦哲钘
施旭光
Sun Yuxia;Liang Bo;Wen Daiwei;Huang Xianyuan;Mai Zhexing;Shi Xuguang(Wuzhou Hospital of Traditional Chinese Medicine,Guangxi,Wuzhou 543000,China)
出处
《中国中医急症》
2020年第9期1533-1537,共5页
Journal of Emergency in Traditional Chinese Medicine
基金
国家自然科学基金项目(81673870)
广西壮族自治区卫生厅项目(Z20170940)
广西壮族自治区中医药管理局广西中医药适宜技术开发与推广项目(GZSY20-72)。
关键词
腹泻型肠易激综合征
痛泻要方
白芍
防风
白术
陈皮
网络药理学
Diarrhoeal irritable bowel syndrome
Tongxie Yaofang Decoction
Debark peony root
Divaricate sa⁃poshnikovia root
Largehead atractylodes rhizome
Dried tangerine peel
Network pharmacology
