摘要
目的:采用UPLC-Q-TOF-MS/MS技术分析、鉴定甘麦大枣汤的主要化学成分,并在此基础上通过网络药理学及动物实验进一步对甘麦大枣汤抗抑郁的作用机制进行探讨。方法:根据采集到的质谱数据,通过PubChem数据库结合相关参考文献进行化学成分的鉴定。将鉴定出的化学成分输入SwissADME数据库,根据Pharmacokinetics、Druglikeness进行筛选。利用SuperPred和SwissTargetPrediction数据库预测筛选成分的相关靶点,同时在GeneCards、DrugBank等数据库搜索抑郁症相关疾病靶点。利用STRING数据库构建“成分-靶点”及PPI蛋白互作网络,筛选药效作用的核心靶点。采用Metascape数据库进行GO功能富集和KEGG通路富集分析。结果:共分析鉴定了95个化合物,包括黄酮类、萜类、有机酸类、氨基酸类以及其他类。进一步筛选了12个关键活性成分,40个活性成分与疾病交集靶点,通过网络拓扑分析获得TNF、SLC6A3、MAOB等16个核心靶点;富集分析发现甘麦大枣汤抗抑郁作用通路有神经营养相关通路、内分泌相关通路、炎症免疫相关通路等;动物实验结果显示,与模型组比较,甘麦大枣汤可显著减少小鼠悬尾及强迫游泳静止不动时间、下调小鼠血浆IL-1β、TNF-α含量、上调小鼠血浆5-HT、NE水平(P<0.01)。结论:该研究初步阐明了甘麦大枣汤中的化学成分,同时整合网络药理学及动物实验探讨其发挥药效的关键成分、核心靶点、相关通路,为甘麦大枣汤的药效物质基础及作用机制研究提供了参考。
Objective To use UPLC-Q-TOF-MS/MS technology to analyze and identify the main chemical components of Ganmai Dazao Decoction,and to further investigate the antidepressant mechanism of Ganmai Dazao Decoction through network pharmacology and animal experiments to discuss.Methods:According to the collected mass spectrometry data,the chemical constituents were identified through the PubChem database combined with relevant references.The identified chemical constituents were entered into the SwissADME database and screened according to Pharmacokinetics and Druglikeness.Use the SuperPred and SwissTargetPrediction databases to predict the relevant targets of the screening components,and search for depression-related disease targets in databases such as Gene eCards and DrugBank.Use the STRING data-base to build a“component-target”and PPI-protein interaction network to screen the core targets of pharmacodynamic effects.Metascape database was used for GO functional enrichment and KEGG pathway enrichment analysis.Results:A total of 95 compounds were identified by analysis,including flavonoids,terpenes,organic acids,amino acids,and others.Further screened 12 key active ingredients,40 active ingredients and disease intersection targets,and obtained 16 core targets such as TNF,SLC6A3,MAOB through network topology analysis;enrichment analysis found that the antidepressant pathway of Ganmai Dazao Decoction has Neurotrophic-related pathways,endocrine-related pathways,inflammatory-immune-related pathways,etc.;animal experiment results show that compared with the model group,Ganmai Dazao Decoction can significantly reduce the immobility time of tail suspension and forced swimming in mice,and down-regulate the plasma IL of mice.-1β,TNF-αcontent,up-regulate plasma 5-HT,NE levels in mice(P<0.01).Conclusion:This study preliminarily clarified the chemical components in Ganmai Dazao Decoction,and at the same time integrated network pharmacology and animal experiments to explore the key components,core targets,and related pathways fo
作者
蒲莲莲
刘漫
杨颖
嵇晶
何苗
程建明
刘陶世
PU Lianlian;LIU Man;YANG Ying;JI Jing;HE Miao;CHENG Jianming;LIU Taoshi(Nanjing University of Chinese Medicine,Jiangsu Nanjing 210023,China;Engineering Research Center of Classical Prescription,Jiangsu Nanjing 210023,China;Taiji Mianyang Pharmaceutical Co.,Ltd.,Sichuan Mianyang 051430,China)
出处
《中医药临床杂志》
2023年第7期1347-1358,共12页
Clinical Journal of Traditional Chinese Medicine
基金
江苏省自然科学基金面上项目(BK20181424)。
