基于网络药理学探讨“酸枣仁-当归”药对治疗失眠的作用机制  

Exploration on the mechanisms of couplet medicines of Semen Ziziphi spinosae and Angelica sinensis in treating insomnia based on network pharmacology

作　　者：丁匀乔 杨波[1] 彭海生[2] 蒋蕾[2] 张文远 DING Yunqiao;YANG Bo;PENG Haisheng;JIANG Lei;ZHANG Wenyuan(Harbin University of Commerce,Harbin 150028,China;Daqing Campus of Harbin Medical University,Daqing 163319,China)

机构地区：[1]哈尔滨商业大学,黑龙江哈尔滨150028 [2]哈尔滨医科大学大庆校区,黑龙江大庆163319

出　　处：《药学研究》2022年第10期639-644,共6页Journal of Pharmaceutical Research

摘　　要：目的通过网络药理学和分子对接技术探究“酸枣仁-当归”药对治疗失眠的重要靶标。方法通过中药系统药理学数据库(TCMSP)检索“酸枣仁-当归”药对活性成分及相应靶点;通过GeneCards数据库检索失眠相关靶点;在Cytoscape 3.7.2软件中构建“酸枣仁-当归”药对-活性成分-靶点网络图;构建韦恩图得到该药对与疾病的交集靶点。构建蛋白质互作(PPI)网络筛选核心靶点,通过Autodock等软件进行分子对接。借助R Studio对交集靶点进行GO富集和KEGG通路分析。结果得到“酸枣仁-当归”药对有效成分11个,靶点88个,失眠相关靶点1348个,交集靶点20个,6个核心靶点。分子对接分析发现丁子香萜与MAOB结合能力最强。GO富集和KEGG通路分析得到,肾上腺素能受体信号通路、神经递质受体的活动等,通过神经活性配体受体相互作用、5-羟色胺能突触等达到治疗失眠的作用。结论“酸枣仁-当归”药对可能通过MAOB、ACHE、SLC6A4等靶标调控胆碱能突触、多巴胺能突触、钙信号通路、5-羟色胺能等信号通路来起到多因素共同治疗失眠的作用。Objective To explore the key targets of couplet medicines of"Semen Ziziphi spinosae and Angelica sinensis"in the treatment of insomnia through network pharmacology and molecular docking technology.Methods The active components and corresponding targets of couplet medicines of"Semen Ziziphi spinosae and Angelica sinensis"were retrieved by Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP).Targets related with insomnia were retrieved from GeneCards database.The network of couplet medicines-active ingredients-targets was constructed through Cytoscape 3.7.2 software.The Venn diagram was constructed to obtain the intersection targets of the couplet medicines and the disease.Protein-protein interaction(PPI)network was constructed to screen core targets,and molecular was performed by AutoDock software.Finally,R Studio was used to further perform GO and KEGG enrichment analysis of intersection targets.Results A total of 11 active components and 88 potential targets of active components were screened,1348 related targets in the treatment of insomnia,20 intersection targets and 6 core targets were obtained.Molecular docking analysis showed that clove terpene had the strongest binding ability with MAOB.GO and KEGG enrichment analysis showed that adrenergic receptor signaling pathway,neurotransmitter receptor activity could treat insomnia through neuroactive ligandsreceptors interaction and serotonergic synapse pathway.Conclusion Couplet medicines of"Semen Ziziphi spinosae and Angelica sinensis"may play multiple roles in the treatment of insomnia by MAOB,ACHE,SLC6A4,and other related targets to regulate the cholinergic synapse,dopaminergic synapse,calcium signaling pathway,and 5-hydroxytryptaminergic signaling pathway.

关 键 词：酸枣仁 当归 网络药理学 失眠 分子对接 

分 类 号：R285[医药卫生—中药学]