摘要
目的:应用网络药理学方法流程筛选败酱草的主要活性成分,预测该主要活性成分治疗慢性盆腔炎(CPID)的潜在作用靶点及信号通路,探讨其作用机制,并用分子对接预计分子间结合能,探讨结合的优良性。方法:在TCMSP、SwissTarget两个数据库上筛选获得败酱草的潜在活性成分和活性成分对应的靶点;慢性盆腔炎的疾病靶点可通过在线数据库OMIM、Drugbank两个数据库获得,应用Uniprot数据库对成分靶点名称规范化。通过STRING在线数据库获得各靶点相互作用关系;Cytoscape3.9.1软件对靶点关系进行可视化,构建中药-活性成分-靶点-疾病网络图和靶点蛋白-蛋白互作网络图(PPI)。利用Cytoscape软件中的插件筛选核心成分及疾病靶点。利用在线数据库DAVID对靶点进行KEGG通路富集分析。结果:败酱草治疗慢性盆腔炎的核心活性成分包括山奈酚、槲皮素等;PPI互作网络显示关键蛋白涉及PTGS2、IL10、TNF等;KEGG分析结果显示,这些靶点主要富集映射在TNF等信号通路上。结论:该研究预测了败酱草治疗慢性盆腔炎的主要作用机制,说明败酱草可能通过“多成分、多靶点、多通路”发挥抗慢性盆腔炎作用。
Objective:To screen the main active ingredients of Patrinia using network pharmacology method,predict the potential targets and signaling pathways of the main active ingredients in the treatment of chronic pelvic inflammatory disease(CPID),explore its mechanism of action,and use molecular docking to predict the molecular Binding energy to explore the goodness of the binding.Methods:Potential active ingredients and targets corresponding to active ingredients of Patrinia were screened on two databases of TCMSP and Swiss Target;disease targets of chronic pelvic inflammatory disease can be obtained through online databases OMIM and Drugbank,and the Uniprot database was used to analyze Component target name normalization.The interaction relationship of each target was obtained through the STRING online database;the Cytoscape3.9.1 software was used to visualize the target relationship,and the traditional Chinese medicine-active ingredient-target-disease network diagram and the target protein-protein interaction network diagram(PPI)were constructed.Screen core components and disease targets using plugins in Cytoscape software.The KEGG pathway enrichment analysis of the targets was performed using the online database DAVID.Results:The core active ingredients of Patrinia in the treatment of chronic pelvic inflammatory disease include kaempferol,quercetin,etc.;the PPI interaction network shows that the key proteins involve PTGS2,IL10,TNF,etc.;KEGG analysis results show that these targets are mainly enriched and mapped in TNF and other signaling pathways.Conclusion:This study predicts the main mechanism of action of Patrinia in the treatment of chronic pelvic inflammatory disease,indicating that Patrinia may play an anti-chronic pelvic inflammatory effect through“multiple components,multiple targets,and multiple pathways”.
作者
朱思源
游卉
ZHU Siyuan;YOU Hui(Hunan University of Traditional Chinese Medicine,Hunan Changsha 410208,China;The First Affiliated Hospital of Hunan University of Traditional Chinese Medicine,Hunan Changsha 410000,China)
出处
《中医药临床杂志》
2023年第4期757-761,共5页
Clinical Journal of Traditional Chinese Medicine
基金
尤召玲教授不孕症中医临证诊疗体系医案挖掘研究及经验传承(C2022012)。
关键词
败酱草
慢性盆腔炎
网络药理学
机制研究
Patrinia
Chronic pelvic inflammatory disease
Network pharmacology
Mechanism research
