贾跃进老中医常用药对半夏-夏枯草治疗失眠障碍作用机制的网络药理学研究

Network Pharmacology Research of Doctor Jia Yuejin′s Pinellia Ternata-Prunella Vulgaris L in the Treatment of Insomnia Disorder

目的 利用网络药理学和分子对接手段分析贾跃进老中医常用药对半夏-夏枯草治疗失眠障碍的有效成分、靶点和通路以探讨其作用机制。方法 检索中药系统药理学技术平台(TCMSP)数据库,获取半夏、夏枯草的有效成分及靶点;在GeneCards等数据库中检索疾病相关靶点,求得药对与疾病的交集靶点,并使用CytoscapeV 3.6.1和STRING数据库构建疾病-药物-成分-靶点网络及蛋白互作网络;在Metascape平台中对交集靶点进行基因本体(GO)富集分析和京都基因与基因组百科全书(KEGG)通路富集分析;选取核心成分与核心靶点分子对接。结果 共获得半夏-夏枯草药对有效成分12种,关联靶点73个,与失眠障碍交集靶点33个,核心成分5种,核心靶点7个;GO富集分析得到540条结果,主要有腺苷酸环化酶激活肾上腺素能受体信号通路、肾上腺素受体活性、突触后膜的组成部分等;KEGG通路富集分析总共得到37条通路,主要有神经活性配体-受体相互作用、血清素能突触等;分子对接结果表明所有核心靶点与核心成分均能形成稳定结合。结论 初步揭示了半夏-夏枯草药对治疗失眠障碍的关键成分、靶点及关键通路,以供临床使用和进一步研究参考。

Objective To explore the mechanisms of doctor Jia Yuejin′s Pinellia ternata-Prunella vulgaris L in the treatment of insomnia disorder by network pharmacology and molecular docking.Methods The effective components and targets of Pinellia ternata and Prunella vulgaris L were obtained by searching Traditional Chinese Medicines Systems Pharmacology Platform(TCMSP)database.The related targets of the disease were retrieved from databases of GeneCards.Then,the targets of intersection of drugs and the disease were obtained.The disease-drugs-ingredients-targets networks and core protein-protein interaction networks were constructed using STRING database and Cytoscape V3.6.1 software.Gene ontology(GO)enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis were performed on the Metascape platform.The molecules of core ingredients were selected to dock with the molecules of core targets.Results A total of 12 effective ingredients and 73 targets of Pinellia ternata-Prunella vulgaris L drug pairs were obtained,including 33 targets intersection with disease,5 core ingredients,and 7 core targets.A total of 540 results of GO enrichment analysis were obtained,mainly involving adenylate cyclase-activating adrenergic receptor signaling pathway,adrenergic receptor activity,integral component of postsynaptic membrane,etc.A total of 37 pathways were obtained by KEGG pathway enrichment analysis,mainly involving neuroactive ligand-receptor interactions,serotonergic synapses,etc.The results of molecular docking showed that all of combination of core targets and core ingredients could be form stably.Conclusion This study preliminarily revealed the key ingredients,key targets,and key pathways of Pinellia ternata-Prunella vulgaris L drug pairs in the treatment of insomnia disorders,which will provide references for clinical use and further research.