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通过网络药理学研究复方安神精油治疗失眠的机制。

The Mechanism of Compound Anshen Essential Oil in the Treatment of Insomnia Was Examined by Network Pharmacology.

作者信息

Ren Guilin, Zhong Yu, Ke Gang, Liu Xiaoli, Li Huiting, Li Xiaofang, Zheng Qin, Yang Ming

机构信息

Key Laboratory Breeding Base of Systematic Research and Utilization on Chinese Material Medical Resources Co-Founded by Sichuan Province and Ministry of Science and Technology, Pharmacy College, Chengdu University of Traditional Chinese Medicine, Chengdu 611137, China.

Key Laboratory of Modern Preparation of Traditional Chinese Medicine, Ministry of Education, State Key Lab. of Innovation Drug and Effcient Energy-Saving Pharmaceutical Equipment, Jiangxi University of Traditional Chinese Medicine, Nanchang 330004, China.

出版信息

Evid Based Complement Alternat Med. 2019 Jun 4;2019:9241403. doi: 10.1155/2019/9241403. eCollection 2019.

Abstract

The active component-target network and protein-protein interaction network of Compound Anshen essential oil were constructed. The target functions and related pathways were analyzed to explore the mechanism of Compound Anshen essential oil in the treatment of insomnia. GC-MS was used to detect the chemical composition of Compound Anshen essential oil, and the TCMSP, STITCH, TTD, and DrugBank databases were searched to predict and screen the targets of Compound Anshen essential oil in the treatment of insomnia. Cytoscape software was used to construct the network diagrams of the active component-action target and protein-protein interaction networks, ClueGO software was used to analyze the GO enrichment and KEGG pathway of the target, and the systemsDock website database was used for molecular docking. The analysis of the network results showed that the activity of Compound Anshen essential oil mainly involves biological processes such as the phospholipase C-activating G protein-coupled receptor signaling pathway, response to ammonium ions, calcium ion transport into the cytosol, and chloride transport. The results of molecular docking showed that linalool, caryophyllene, dibutyl phthalate, (-)-4-terpineol, and (-)--terpineol have good binding activity with ADRB2, DRD2, ESR1, KCNH2, NR1H4, NR1I2, NR1I3, and TRPV1 targets. This study demonstrates the multicomponent, multitarget, and multichannel characteristics of Compound Anshen essential oil and provides a new therapeutic idea and method for further research on the mechanism of Compound Anshen essential oil in the treatment of insomnia.

摘要

构建了复方安神精油的活性成分-靶点网络和蛋白质-蛋白质相互作用网络。分析了靶点功能及相关通路,以探讨复方安神精油治疗失眠的作用机制。采用气相色谱-质谱联用(GC-MS)检测复方安神精油的化学成分,并检索中药系统药理学数据库与分析平台(TCMSP)、STITCH、治疗靶点数据库(TTD)和药物银行(DrugBank)数据库,预测和筛选复方安神精油治疗失眠的靶点。运用Cytoscape软件构建活性成分-作用靶点网络图和蛋白质-蛋白质相互作用网络,采用ClueGO软件分析靶点的基因本体(GO)富集和京都基因与基因组百科全书(KEGG)通路,利用SystemsDock网站数据库进行分子对接。网络结果分析显示,复方安神精油的活性主要涉及磷脂酶C激活的G蛋白偶联受体信号通路、对铵离子的反应、钙离子转运至胞质溶胶以及氯离子转运等生物学过程。分子对接结果表明,芳樟醇、石竹烯、邻苯二甲酸二丁酯、(-)-4-萜品醇和(-)-α-萜品醇与肾上腺素能β2受体(ADRB2)、多巴胺D2受体(DRD2)、雌激素受体1(ESR1)、钾通道亚家族H成员2(KCNH2)、核受体亚家族1组H成员4(NR1H4)、核受体亚家族1组I成员2(NR1I2)、核受体亚家族1组I成员3(NR1I3)和瞬时受体电位香草酸亚型1(TRPV1)靶点具有良好的结合活性。本研究揭示了复方安神精油的多成分、多靶点和多途径特性,为进一步研究复方安神精油治疗失眠的机制提供了新的治疗思路和方法。

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