基于超高液相色谱-四级杆-飞行时间串联质谱法与网络药理学技术分析参葛颗粒治疗非酒精性脂肪性肝病的活性成分及作用机制  

Active ingredients and mechanism of Shenge Granules in treating non-alcoholic fatty liver were analyzed by ultra high liquid chromatography-four-pole time-of-flight tandem mass spectrometry and network pharmacology

作　　者：杨馨玥 李红 班辰婧 黄能听 刘军 夏忠庭 YANG Xinyue;LI Hong;BAN Chenjing;HUANG Nengting;LIU Jun;XIA Zhongting(Graduate School,Tianjin University of Traditional Chinese Medicine,Tianjin301617,China;Yingkerui(Tianjin)Innovative Pharmaceutical Research Co,Ltd.,Tianjin300382,China;Beijing Yingkerui Innovative Medicine Co,Ltd.,Beijing102200,China)

机构地区：[1]天津中医药大学研究生院,天津301617 [2]盈科瑞(天津)创新医药研究有限公司,天津300382 [3]北京盈科瑞创新医药股份有限公司,北京102200

出　　处：《中国当代医药》2024年第19期4-9,共6页China Modern Medicine

摘　　要：目的运用超高压液相色谱-四级杆-飞行时间串联质谱(UPLC-Q-TOF-MS/MS)技术结合网络药理学技术探究参葛颗粒治疗非酒精性脂肪性肝病的活性成分及作用机制。方法通过UPLC-Q-TOF-MS/MS技术鉴定参葛颗粒中的化学成分,结合中药系统药理学数据库(TCMSP)、PubChem数据库以及SwissTargetPrediction数据库筛选参葛颗粒的活性成分和靶点,在GeneCards等数据库检索非酒精性脂肪性肝病的疾病靶点,在Venny 2.1.0在线作图平台绘制药物-疾病韦恩图,将交集靶点导入String数据库,再利用Cytoscape 3.10.0软件进行可视化处理,同时基于交集靶点通过DAVID数据库进行GO和KEGG通路富集。利用Cytoscape 3.10.0软件构建核心靶点网络图以及疾病-通路-靶点-成分-药物网络图。结果质谱解析化合物75个,筛选得到药物活性成分29个,药物靶点499个,疾病靶点4776个,共同靶点353个,关键基因10个,分别为TP53、CASP3、HIF1A、JUN、BCL2L1、SRC、MTOR、HRAS、TNF、ALB,关键活性成分8个,分别为丹酚酸B、葛根素、Puerol B、芒柄花苷、葛苷A、丹参素、大豆苷、染料木素苷。结论参葛颗粒治疗非酒精性脂肪性肝病具有多成分、多靶点、多通路的特点,主要通过减少肝脏脂肪堆积、调节内分泌减缓炎症以及细胞凋亡,从而发挥治疗非酒精性脂肪肝病的作用。Objective To explore the active ingredients and mechanism of Shenge Granules in the treatment of non-alcoholic fatty liver disease by using ultra high liquid chromatography-four-pole time-of-flight tandem mass spectrometry(UPLC-Q-TOF-MS/MS)technique combined with network pharmacology.Methods The chemical components in Shenge Granules were identified using UPLC-Q-TOF-MS/MS.The active ingredients and targets of Shenge Granules were screened using the traditional Chinese medicine system pharmacology database(TCMSP),PubChem database,and SwissTargetPrediction database.Disease targets of non-alcoholic fatty liver disease were searched in databases such as GeneCards.A drug disease Venn diagram was drawn on the Venny 2.1.0 online plotting platform.The intersecting targets were imported into the String database and visualized using Cytoscape 3.10.0 software.At the same time,GO and KEGG pathway enrichment was performed using the DAVID database based on the intersecting targets.Construct a core target network diagram and a disease pathway target component drug network diagram using Cytoscape 3.10.0 software.Results A total of 75 compounds were analyzed by mass spectrometry,29 active ingredients,499 drug targets,4776 disease targets,353 common targets and 10 key genes were obtained,respectively:TP53,CASP3,HIF1A,JUN,BCL2L1,SRC,MTOR,HRAS,TNF,ALB,and 8 key active ingredients,namely:salvianolic acid B,Puerolin,Puerol B,ononin,glucoside A,tanshensin,daidzein and genigeniin.Conclusion The treatment of non-alcoholic fatty liver with Shenge Granules has the characteristics of multi-component,multi-target and multi-pathway,and mainly plays a role in the treatment of non-alcoholic fatty liver disease by reducing liver fat accumulation,regulating endocrine,slowing inflammation and apoptosis.

关 键 词：参葛颗粒 非酒精性脂肪性肝病 超高液相色谱-四级杆-飞行时间串联质谱法 网络药理学 分子对接 作用机制 

分 类 号：R575[医药卫生—消化系统]