基于UPLC-MS/MS结合网络药理学探讨葫芦茶质量标志物  

Study on the Active Constituents of Tadehagi Triquetrum Based on UPLC-MS/MS and Network Pharmacology

作　　者：林晗 何嘉莹 贾小舟 胡绮萍 钟春琳 李国卫 陈向东 孙冬梅 潘礼业 Lin Han;He Jiaying;Jia Xiaozhou;Hu Qiping;Zhong Chunlin;Li Guowei;Chen Xiangdong;Sun Dongmei;Pan Liye(Guangdong YiFang Pharmaceutical Co.,Ltd.,Guangdong Provincial Key Laboratory of Traditional Chinese Medicine Formula Granule,Foshan 528244,China)

机构地区：[1]广东一方制药有限公司/广东省中药配方颗粒企业重点实验室,广东佛山528244

出　　处：《亚太传统医药》2024年第7期158-164,共7页Asia-Pacific Traditional Medicine

基　　金：国家工业和信息化部产业技术基础公共服务平台项目-中药全产业链质量技术服务平台(2022-230-221)。

摘　　要：目的:解析葫芦茶化学成分,结合网络药理学探讨其潜在质量标志物(Q-Marker),填补葫芦茶质谱分析及网络药理学分析研究空白。方法:采用UPLC-MS/MS对葫芦茶的化学成分进行定性分析,基于类药五原则筛选有效成分,查找其作用靶点及其涉及的信号通路,应用网络药理学构建“成分-靶点”网络及靶点相互作用网络,并进行基因本体论(GO)功能富集和京都基因组百科全书(KEGG)通路富集,筛选质量标志物。结果:UPLC-MS/MS定性鉴别出葫芦茶中的18个化学成分,筛选后得到10个成分符合类药五原则及符合网络药理学分析条件,通过网络药理学分析得出与清热解毒、利水消积功效相关的通路为Hepatitis B、Kaposi sarcoma-associated herpesvirus、Human T-cell leukemia virus 1 infection、Hepatitis C、Human cytomegalovirus infection、AGE-RAGE signaling pathway in diabetic、Lipid and atherosclerosis、Fluid shear stress and atherosclerosis。进一步分析得出葫芦茶的Q-Marker为桑黄素(Quercetin)、山柰酚-3-O-β-D-吡喃葡萄糖苷(Kaempferol 3-O-D-galactoside)、RoseosideⅡ(Roseoside A)、百蕊草素Ⅰ(Kaempferol-3-glucorhamnoside)、葫芦茶苷(Tadehaginoside)。结论:通过UPLC-MS/MS鉴别出葫芦茶的成分,结合网络药理学查找出葫芦茶清热解毒及利水消积的通路,进一步探讨出葫芦茶的Q-Marker。Objective:Analyze the chemical components of Tadehagi Triquetrum and explore its potential quality markers(Q-Markers)in combination with network pharmacology,filling the research gap in Tadehagi Triquetrum mass spectrometry analysis and network pharmacology analysis.Methods:Qualitative analysis of the chemical components of Tadehagi Triquetrum using UPLC-MS/MS.Based on the five principles of generic drugs,screen effective ingredients,identify their action targets,and identify the signaling pathways involved.Apply network pharmacology to construct a“component target”network and target interaction network,and perform gene ontology(GO)functional enrichment and Kyoto Genome Encyclopedia(KEGG)pathway enrichment to screen quality biomarkers.Results:UPLC-MS/MS qualitatively identified 18 chemical components in Tadehagi Triquetrum,and after screening,10 components were found to comply with the five principles of drug classification and network pharmacology analysis conditions.Through network pharmacology analysis,it was found that the pathways related to the effects of clearing heat,detoxifying,promoting diuresis,and eliminating accumulation are Hepatitis B、Kaposi sarcoma-associated herpesvirus、Human T-cell leukemia virus 1 infection、Hepatitis C、Human cytomegalovirus infection、AGE-RAGE signaling pathway in diabetic、Lipid and atherosclerosis、Fluid shear stress and atherosclerosis.Further analysis reveals that the Q-Markers of gourd tea are quercetin and kaempferol-3-O-β-Kaempferol 3-O-D-galactoside,Roseoside II(Roseoside A),Kaempferol-3-glucorhamnoside,and Tadehaginoside.Conclusion:Through UPLC-MS/MS identification of the components of Tadehagi Triquetrum,combined with network pharmacology,the pathways for clearing heat,detoxifying,and promoting diuresis and accumulation were identified,further exploring the Q-marker of Tadehagi Triquetrum.

关 键 词：葫芦茶 质谱 网络药理学 质量标志物 

分 类 号：R282.71[医药卫生—中药学]