滋补脾阴中药的网络药理学机制分析  

Mechanism of Nourishing Spleen Yin Herbs in Molecular Level by Network Pharmacology

作　　者：赵春燕 战丽彬[1] Zhao Chunyan;Zhan Libin(Modern Research Laboratory of Spleen Visceral Manifestations Theory,School of Traditional Chinese Medicine&School of Integrated Chinese and Western Medicine,Nanjing U niversity of Chinese Medicine,Nanjing 210023,China)

机构地区：[1]南京中医药大学中医学院·中西医结合学院·中医脾藏象现代研究实验室,南京210023

出　　处：《世界科学技术-中医药现代化》2020年第12期4267-4276,共10页Modernization of Traditional Chinese Medicine and Materia Medica-World Science and Technology

基　　金：国家自然科学基金委员会重点项目(81730111):基于肠道菌群“从脾论治”疾病易感痰湿体质的中医治未病的生物学基础研究,负责人:战丽彬。

摘　　要：目的运用网络药理学的方法探究滋补脾阴中药的分子作用机制。方法将滋补脾阴方剂中使用频次较高且历代医家对其滋补脾阴功效有明确论述的山药、茯苓、白芍、扁豆、芡实作为研究对象,检索TCMSP、TCMID、STITCH数据库,结合文献得到其活性化学成分和靶点,此后将靶点信息导入STRING数据库构建滋补脾阴中药靶点之间的相互作用(PPI)网络,并通过PageRank算法对网络中的节点打分筛选关键靶点。同时将靶点信息导入DAVID数据库进行KEGG通路富集分析,通过TTD数据库分析潜在靶点关联疾病。利用Cytoscape软件,分别构建潜在靶点PPI网络、中药-活性化合物-关键靶点网络,最后使用AutoDock软件进行分子对接并对其作用机制进行了初步探讨。结果筛选出滋补脾阴中药核心靶点15个,信号通路98条,这类中药可能通过参与人体物质代谢、免疫、造血、炎症反应等过程发挥其滋补脾阴的作用。其作用机制可能与HIF-1信号通路、胰岛素抵抗、药物代谢-细胞色素P450、花生四烯酸代谢、mTOR信号通路等信号通路有关。分子对接结果表明,关键靶点VEGFA、PTGS1及PTGS2与熊果酸等化合物有较强结合力。结论基于网络药理学的方法得到滋补脾阴中药调节的关键靶点和通路,为探究滋补脾阴中药的作用机理提供数据支撑,从而为更加深入的探究脾阴学说提供思路。Objective To explore the molecular mechanism of nourishing spleen yin herbs by the method of network pharmacology. Methods Taking Rhizoma Dioscoreae, Poria, Radix Paeoniae Alba, Semen Lablab Album and Semen Euryales, which were frequently used in the prescription for nourishing spleen yin and whose effects had been clearly discussed by doctors of previous dynasties, as the research objects. TCMSP, TCMID, STITCH databases and related literature were consulted to get the active chemical components and targets of those herbs. Then the target information was introduced into the STRING database to construct the interaction(PPI) network between the targets of traditional Chinese medicine for nourishing spleen yin. Through the PageRank algorithm, the nodes in the network were scored to screen the key targets. At the same time, the target information was imported into DAVID database for KEGG pathway enrichment analysis, and the potential target associated diseases were analyzed by TTD database. The potential target PPI network and the traditional Chinese medicine-active compound-key target network were constructed by using Cytoscape software. The molecular docking was carried out by using AutoDock software and its action mechanism was discussed. Results A total of 15 core targets and 98 signal pathways of traditional Chinese medicine for nourishing spleen yin were selected. This kind of traditional Chinese medicine might nourish spleen yin by participating in the process of material metabolism, immunity, hematopoiesis, and inflammation. Its mechanism might be related to HIF-1 signal pathway, insulin resistance, drug metabolism-cytochrome P450, arachidonic acid metabolism, mTOR signal pathway and so on. The results of molecular docking showed that the key targets VEGFA, PTGS1 and PTGS2 had a strong binding with ursolic acid and other compounds. Conclusion Based on the method of network pharmacology, the key targets and pathways of nourishing spleen yin herbs were obtained, which provides data support for exploring the mec

关 键 词：滋补脾阴中药 网络药理学 PPI网络 靶点 信号通路 

分 类 号：R285[医药卫生—中药学]