基于网络药理学探讨祛痰合剂祛痰镇咳的作用机制  

Mechanism of Expectorant Mixture in the Treatment of Productive Cough Based on Network Pharmacology

作　　者：郭思瑞 徐硕[1] 徐文峰[1] 金鹏飞[1] GUO Sirui;XU Shuo;XU Wenfeng;JIN Pengfei(Dept.of Pharmacy,Beijing Hospital,National Center of Gerontology,Institute of Geriatric Medicine,Chinese Academy of Medical Sciences,Beijing Key Laboratory of Assessment of Clinical Drugs Risk and Individual Application(Beijing Hospital),Beijing 100730,China)

机构地区：[1]北京医院药学部,国家老年医学中心,中国医学科学院老年医学研究院,北京市药物临床风险与个体化应用评价重点实验室(北京医院),北京100730

出　　处：《中国医院用药评价与分析》2024年第4期396-400,407,共6页Evaluation and Analysis of Drug-use in Hospitals of China

基　　金：国家自然科学基金资助项目(No.81803715);中央高水平医院临床科研业务费资助项目(No.BJ-2021-211)。

摘　　要：目的:基于网络药理学方法,探讨祛痰合剂的祛痰镇咳作用机制。方法:从中药系统药理学数据库与分析平台、Symmap数据库和BATMAN数据库获取祛痰合剂的成分,以口服生物利用度≥30%、化合物类药性≥0.18为标准筛选出药物中的有效成分,利用PubChem数据库和SwissTargetPrediction数据库筛选活性成分并预测其作用靶点,通过Cytoscape构建疾病-药物-成分-靶点网络;利用STRING数据库对靶点进行蛋白质-蛋白质相互作用分析,并通过R语言计算核心靶点,最后采用DAVID数据库对药物作用疾病相关靶点进行基因本体功能富集分析和京都基因与基因组百科全书通路富集分析。结果:通过筛选得到22个主要活性成分、药物-疾病相关靶点298个,提示祛痰合剂可能是通过药物应答、磷脂酶C激活G蛋白偶联受体信号通路及细胞增殖正向调节作用等生物过程,酶结合、蛋白激酶活性及药物结合等分子功能发挥祛痰镇咳的作用,其机制可能与神经活性配体-受体相互作用、环腺苷酸信号途径和钙信号通路等多个通路的调控作用密切相关。结论:祛痰合剂可以通过多成分、多靶点、多通路的方式发挥其祛痰镇咳的作用机制,本研究为进一步探索祛痰合剂祛痰镇咳的机制奠定了研究基础。OBJECTIVE:To explore the mechanism of expectorant mixture in the treatment of productive cough based on network pharmacology.METHODS:Components of expectorant mixture were obtained from Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform,Symmap database and BATMAN database.The effective components of expectorant mixture were screened by oral bioavailability≥30%and drug-likeness≥0.18.Pubchem database and SwissTargetPrediction database were used to screen the active components and predict the targets,the disease-drug-component-target network was constructed by Cytoscape.Protein-protein interaction network of the targets were constructed by STRING and the key targets were calculated by R language.Finally,gene ontology functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis of related targets were performed by using the DAVID database.RESULTS:Totally 22 potential active components and 298 drug-disease related targets were screened out,which indicated that expectorant mixture might play a role in the treatment of productive cough by regulating some biological processes including response to drug,phospholipase C-activating G-protein coupled receptor signaling pathway and positive regulation of cell proliferation,and some molecular functions such as enzyme binding,protein kinase activity and drug binding.The mechanism might be closely related to the regulation of neuroactive ligand-receptor interaction,cyclic adenosine monophosphate signaling pathway and calcium signaling pathway.CONCLUSIONS:Expectorant mixture can exert the mechanisms of treating productive cough through multi-components,multi-targets and multi-pathways,which lays the research foundation for further exploring the mechanism.

关 键 词：祛痰合剂 祛痰镇咳 网络药理学 作用机制 

分 类 号：R932[医药卫生—生药学]