基于代谢组学与中药系统药理学数据库分析平台的南北柴胡活性成分及差异代谢物分析  

Analysis of Active Components and Differential Metabolites of Beichaihu(Bupleuri Chinense Radix)and Nanchaihu(Bupleuri Scorzonerifolii Radix)Based on Metabolomics and TCMSP

作　　者：王宝顺 王瀚 曲雪洁 张佳琪 曹睿 宋泽 孙逸轩 罗容[1,2] 刘长利[1,2] WANG Baoshun;WANG Han;QU Xuejie;ZHANG Jiaqi;CAO Rui;SONG Ze;SUN Yixuan;LUO Rong;LIU Changli(School of Traditional Chinese Medicine,Capital Medical University,Beijing 100069,China;Beijing Key Laboratory of Traditional Chinese Medicine Collateral Disease Theory Research,Capital Medical University,Beijing 100069,China)

机构地区：[1]首都医科大学中医药学院,北京100069 [2]首都医科大学中医络病研究北京市重点实验室,北京100069

出　　处：《中华中医药学刊》2024年第12期150-153,I0051-I0053,共7页Chinese Archives of Traditional Chinese Medicine

基　　金：国家自然科学基金项目(81872947)。

摘　　要：目的基于代谢组学,多元统计分析和网络药理学方法分析鉴定南北柴胡代谢物差异并分析造成二者临床疗效不同的物质基础。方法通过超高效液相色谱-质谱(Ultra Performance Liquid Chromatography-Mass Spectrometry,UPLC-MS)和气相色谱-质谱(Gas Chromatography-Mass Spectrometry,GC-MS)两种分析技术获得南北柴胡的代谢物,采用主成分分析(Principal Component Analysis,PCA)、聚类分析(Cluster Analysis,CA)和正交偏最小二乘判别分析(Orthogonal Partial Least Squares Discriminant Analysis,OPLS-DA)筛选南北柴胡差异代谢物,通过中药系统药理学数据库分析平台(Traditional Chinese Medicine System Pharmacology Database and Analysis Platform,TCMSP)筛选南北柴胡中的关键活性成分,预测其可能治疗的疾病。结果在两种柴胡中共检测到1733个代谢物,其中有759个为差异代谢物。共筛选出96个关键活性成分,主要包括黄酮类、木脂素和香豆素类、挥发油和萜类化合物。这些关键活性成分与多种靶蛋白相关,对应癌症、肿瘤、心血管疾病、高血压病、炎症、糖尿病、阿兹海默症等多种疾病。结论相较于北柴胡,南柴胡中黄酮和挥发油以及酚酸类成分含量相对较高。研究结果进一步证明了柴胡中除皂苷类成分,其黄酮、香豆素、挥发油、酚酸等成分也可能发挥了重要的药理作用。南北柴胡药效物质基础存在差异,其发挥药效各有不同,因此在临床中若能实现区分用药,对柴胡药用资源实现最大化利用具有重要意义。Objective To identify the differential metabolites and material basis for the different clinical efficacy of Beichaihu(Bupleuri Chinense Radix)and Nanchaihu(Bupleuri Scorzonerifolii Radix)based on metabolomics,multivariate statistical analy-sis and network pharmacology.Method The metabolites of Beichaihu(Bupleuri Chinense Radix)and Nanchaihu(Bupleuri Scor-zonerifolii Radix)were obtained by ultra-high performance liquid chromatography-mass spectrometry(UPLC-MS)and gas chromatography-mass spectrometry(GC-MS).Principal component analysis(PCA),cluster analysis(CA)and orthogonal partial least squares discriminant analysis(OPLS-DA)were used to screen the differential metabolites of Beichaihu(Bupleuri Chinense Radix)and Nanchaihu(Bupleuri Scorzonerifolii Radix).The key active components in Beichaihu(Bupleuri Chinense Radix)and Nanchaihu(Bupleuri Scorzonerifolii Radix)were screened by traditional Chinese medicine system pharmacology database analysis platform(TCMSP)to predict the possible therapeutic diseases.Result A total of 1733 metabolites were detected in the Beichaihu(Bupleuri Chinense Radix)and Nanchaihu(Bupleuri Scorzonerifolii Radix),of which 759 were differential metabo-lites.A total of 96 key active ingredients were screened out,mainly including flavonoids,lignans,coumarins and terpenoids.These key active ingredients were associated with a variety of target proteins,corresponding to cancer,cancer,cardiovascular dis-ease,hypertension,inflammation,diabetes,Alzheimer's disease and other diseases.Conclusion Compared with those in Beichaihu(Bupleuri Chinense Radix),the contents of flavonoids,volatile oils and phenolic acids in Nanchaihu(Bupleuri Scorzonerifolii Ra-dix)were higher.The research results further prove that in addition to saponins in Chaihu(Bupleuri Radix),its flavonoids,coumarins,volatile oils,phenolic acids and other components also play an important pharmacological role.There are differences in the material basis of the efficacy of Beichaihu(Bupleuri Chinense Radix)and Nanchaihu(Bupleuri Scorzonerifo

关 键 词：柴胡 UPLC-MS GC-MS TCMSP 

分 类 号：R285.1[医药卫生—中药学]