基于网络药理学及分子对接技术的小柴胡汤抗抑郁的作用机制研究

Study on the Effect Meachnisim of Xiaochaihu Decoction in the Treatment of Anti-Depression Based on Network Pharmacology and Molecular Docking

目的基于网络药理学及网络对接技术探究小柴胡汤抗抑郁的作用机制,建立小柴胡汤-体内作用靶标-疾病的网络作用关系图。方法基于网络药理学技术对小柴胡汤的入血成分进行分析,预测小柴胡汤方剂抗抑郁的体内作用靶标,并通过网络对接技术明晰和验证成分与靶标的结合位点,可视化成分-靶标-疾病及结合过程。阐明小柴胡汤抗抑郁的作用机制。结果通过文献和数据库检索初步确定黄芩苷和黄芩素两个入血成分在体内的行为良好,具有成为有效成分的可能。经过分子对接及筛选获取3个与抑郁症相关的体内直接作用靶标,分别为γ-氨基丁酸A受体、γ-氨基丁酸C受体拮抗剂和5羟色胺释放抑制剂,经代谢通路富集分析可知,小柴胡汤主要涉及神经活性配体-受体相互作用、5-羟色胺突触等生物过程。结论本研究初步从网络药理学角度揭示了小柴胡汤体内相关作用靶标及代谢通路,为进一步研究小柴胡汤抗抑郁的药效物质基础及作用机制提供理论依据。

Objective To explore the anti-depressant mechanism of Xiaochaihu decoction based on network pharmacology and network docking technique,and to establish the network action diagram of Xiaochaihu decoction-in vivo action target-disease.Methods Based on the network pharmacology technology,the blood components of Xiaochaihu decoction were analyzed,and the anti-depressive target of Xiaochaihu decoction was predicted,and the binding sites of the components and targets were clarified and verified by the network docking technique,and the visual components-target-disease and the binding process were visualized for elucidation the anti-depressant mechanism of Xiaochaihu decoction.Results Baicalin has a good body behavior and potential components in vivo by literature and database searches.After screening,2 direct action targets related to depression were obtained,which wereγ-aminobutyric acid receptor and 5-serotonin receptor.After metabolic pathway enrichment analysis,Xiaochaihu decoction mainly involved the biological process of neuroactive ligand receptor interaction,5-serotonin synapse and other biological processes.Conclusion This study preliminarily revealed the target and metabolic pathway of the related role of Xiaochaihu decoction from the perspective of network pharmacology,and provided a theoretical basis for further research on the material basis and mechanism of anti-depressant effect of Xiaochaihu decoction.