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借助网络药理学技术预测并筛选百合地黄汤主要活性成分及其潜在靶点,探讨百合地黄汤对心理亚健康的多成分-多靶点-多通路干预作用机制。采用ADME/T计算方法筛选百合地黄汤的活性成分,依据中药系统药理学技术平台(TCMSP)、反向药效团匹配数据库(Pharm Mapper)和医学主题词表(Medical Subject Headings,缩写为MeSH)疾病分类预测和筛选百合地黄汤活性成分的作用靶点,并采用Sybyl中的Surflex-dock模块对靶标预测结果进行验证。采用Cytoscape软件构建百合地黄汤活性成分-靶点-疾病网络,通过ClueGO插件对靶点的基因功能以及涉及的代谢通路进行分析。结果显示在百合地黄汤中筛选出11个活性成分,共涉及神经和免疫等21个靶点,且活性成分与预测的靶点有较好的相互作用,预测的21个靶点主要参与了GABA信号转导、c AMP信号通路以及单胺转运等相关生物过程。结果表明百合地黄汤可能通过调控G-蛋白偶联受体活性和单胺类神经递质的表达发挥干预心理亚健康的作用,体现中药多成分、多靶点、多途径的作用特点,为阐释百合地黄汤干预心理亚健康的作用机制提供科学依据。
To predict and screen the main active components of lily Rehmanniae Decoction and its potential targets by means of network pharmacology and to explore the mechanism of Lily Rehmanniae Decoction on the sub-health multi-component multi-target-multi-pathway intervention. The active components of Lily Rehmanniae Decoction were screened by ADME / T method. According to TCMSP, Pharm Mapper and Medical Subject Headings (MeSH) Disease classification Predict and screen the active components of Lily Rehmanniae Decoction and use the Surflex-dock module in Sybyl to verify the target prediction results. Cytoscape software was used to construct the active ingredient-target-disease network of Lily Rehmanniae Decoction. The ClueGO plug-in was used to analyze the gene function of the target and the metabolic pathways involved. The results showed that eleven active constituents were screened out in Lily Rehmanniae Decoction, involving 21 targets such as nerve and immune, and the active ingredients had good interaction with the predicted target. The predicted 21 targets were mainly involved in GABA Signal transduction, c AMP signaling, and monoamine transport and other related biological processes. The results show that Lily Rehmannia Decoction may play an important role in interfering with sub-health by regulating the activity of G-protein-coupled receptors and the expression of monoamine neurotransmitters, reflecting the multi-component, multi-target and multi-pathological features of traditional Chinese medicine Lily Di Huang Tang intervention psychological sub-health mechanism to provide a scientific basis.