摘要
目的基于网络药理学和分子对接探讨芩蒿滴鼻剂治疗过敏性鼻炎的靶点和作用机制。方法通过中药系统药理学数据库与分析平台(TCMSP)和相关文献检索并筛选出芩蒿滴鼻剂主要活性成分及靶点,通过DrugBank、DisGenet、TTD和PharmGKB数据库获取过敏性鼻炎相关靶点,整合分析获取芩蒿滴鼻剂治疗过敏性鼻炎的靶点,采用STRING工具分析靶点蛋白相互作用关系,通过DAVID6.8数据库进行基因功能及通路富集分析,采用Cytoscape3.7.2软件进行网络可视化,采用AutoDock软件对关键靶点进行分子对接分析。结果共筛选出芩蒿滴鼻剂活性成分83个,预测疾病相关靶点473个,蛋白相互作用网络筛选出核心靶点51个。通路富集分析表明,芩蒿滴鼻剂治疗过敏性鼻炎主要调控HIF-1信号通路、IL-17信号通路、TNF信号通路及NOD样受体信号通路等。关键靶点和重要成分均具有较好的结合性能。结论芩蒿滴鼻剂治疗过敏性鼻炎具有多成分、多靶点、多通路特点,其作用机制主要与炎症、趋化因子介导的信号通路及免疫应答有关。
Objective To explore the targets and mechanism of Qinhao nasal drops on allergic rhinitis based on network pharmacology and molecular docking.Methods Through the Traditional Chinese Medicine System Pharmacology Database and Analysis Platform(TCMSP)and related literature retrieval,the main active components and targets of Qinhao nasal drops were screened.Allergic rhinitis related targets were obtained through DrugBank,DisGenet,TTD and PharmGKB databases.Integrate analysis was conducted to obtain the target of Qinhao nasal drops in the treatment of allergic rhinitis.STRING tool was used to analyze the interaction relationship between target proteins;gene function and pathway enrichment analysis was performed through DAVID 6.8 database;Cytoscape 3.7.2 software was used for network visualization;AutoDock software was used for molecular docking analysis of key targets.Results Totally 83 active components in Qinhao nasal drops and 473 targets in disease were predicted,and 51 core targets were screened out by protein interaction network.Pathway enrichment analysis shows that Qinhao nasal drops could treat allergic rhinitis mainly by regulating HIF-1 signaling pathway,IL-17 signaling pathway,TNF signaling pathway and NOD-like receptors signaling pathway,etc.It was found that the key targets and important components had good affinity.Conclusion Qinhao nasal drops have the characteristics of multiple components,multiple targets,and multiple pathways in treating allergic rhinitis.Its mechanism is mainly related to inflammation,chemokine-mediated signaling pathways and immune response.
作者
何韬
毛艳
顾政一
HE Tao;MAO Yan;GU Zhengyi(School of Pharmacy,Xinjiang Medical University,Urumqi 830011,China;Xinjiang Uyghur Autonomous Region Institute of Pharmacy,Urumqi 830004,China)
出处
《中国中医药信息杂志》
CAS
CSCD
2021年第7期21-26,共6页
Chinese Journal of Information on Traditional Chinese Medicine
基金
国家科技重大专项-重大新药创制(2018ZX09711003-005-007)
新疆地产中药民族药新药研发项目(2016-01-01)。
关键词
芩蒿滴鼻剂
过敏性鼻炎
网络药理学
分子对接
Qinhao nasal drops
allergic rhinitis
network pharmacology
molecular docking
