[关键词]
[摘要]
目的 利用色谱-质谱和网络药理学技术进行经典名方百合地黄汤的化学成分分析和药效成分作用机制的预测。方法 利用LC-MS、GC-MS技术分析百合地黄汤化学成分,利用TCMSP数据库分析搜集化学成分、靶点信息,利用TTD、CTD数据库搜集与靶点相关联的疾病,并以抑郁症为目标进行筛选。Cytoscape软件进行“化学成分-靶点-疾病”的网络图的构建,通过DAVID在线分析,对靶点进行KEGG通路分析,并探究其药效成分和作用机制。结果 通过色谱-质谱分析共得到了52种化学成分;通过网络药理手段得到百合地黄汤中的25种成分对应的31个靶点与抑郁症相关。结论 百合地黄汤治疗抑郁症具有“多向药理学”效应和“叠加”效应,体现中药复杂系统的作用特点;可能通过作用于31个靶点,调节信号通路,参与炎症反应、细胞凋亡、神经递质调节等过程,发挥治疗抑郁症的作用。
[Key word]
[Abstract]
Objective To analyze the chemical composition and predict the pharmacological mechanism of Baihe Dihuang Decoction by chromatography-mass spectrometry and network pharmacology. Methods LC/MS and GC/MS were used to analyze the chemical components of Baihe Dihuang Decoction. The target information of chemical components was collected by TCMSP database. TTD and CTD databases were used to collect diseases associated with targets, and depression was targeted for screening. Cytoscape software was carried out to draw “chemical composition-target-disease” network diagram, KEGG pathway analysis of target was performed by DAVID online analysis and its pharmacodynamic components and mechanism were explored. Results A total of 52 chemical constituents were obtained by chromatography-mass spectrometry analysis. The 31 targets corresponding to 25 components in Baihe Dihuang Decoction by network pharmacology were associated with depression. Conclusion Baihe Dihuang Decoction has the effect of “multi-directional pharmacology” and “superimposition” in the treatment of depression, reflecting the characteristics of the complex system of traditional Chinese medicine. It may play a role in the treatment of depression by acting on 31 targets, regulating the signaling pathway and participating in inflammatory reaction, apoptosis, and neurotransmitter regulation.
[中图分类号]
[基金项目]
国家“重大新药创制”科技重大专项(2018ZX09721005-004-007)