基于UPLC-Q-TOF-MS/MS技术和网络药理学探究竹叶青酒缓解急性肝损伤作用机理  

Mechanism of acute liver injury alleviation by Zhuyeqing liquor based on UPLC-Q-TOF-MS/MS technology and network pharmacology

作　　者：涂慕鑫 孟亦浩 王庆亮 张鑫 杨晨 江涛 田俊生[1] TU Muxin;MENG Yihao;WANG Qingliang;ZHANG Xin;YANG Chen;JIANG Tao;TIAN Junsheng(Institute of Biomedicine and Health,Shanxi Provincial Key Laboratory of Effective Substances Research and Utilization in TCM,Modern Research Center for Traditional Chinese Medicine,Shanxi University,Taiyuan 030006,China;Shanxi Key Laboratory of Plant Extraction and Health of China Lujiu,Shanxi Xinghuacun Fenjiu Co.,Ltd.,Lvliang 032205,China)

机构地区：[1]山西大学中医药现代研究中心地产中药功效物质研究与利用山西省重点实验室生物医药与大健康研究院,山西太原030006 [2]山西杏花村汾酒厂股份有限公司中国露酒植物提取与健康山西省重点实验室,山西吕梁032205

出　　处：《中国酿造》2024年第10期56-64,共9页China Brewing

基　　金：山西杏花村汾酒厂股份有限公司委托科研项目(02260121090082);地产中药功效物质研究与利用山西省重点实验室项目(202105D121009);山西省科技厅基础研究计划项目(202103021224026);中国露酒植物提取与健康山西省重点实验室开放课题(202204010931030)。

摘　　要：该研究首先采用中药系统药理学数据库(TCMSP)结合超高效液相色谱-四极杆-飞行时间-串联质谱(UPLC-Q-TOF-MS/MS)技术对竹叶青酒中潜在的功效成分进行筛选与检测,然后采用网络药理学预测成分及疾病靶点,并通过DAVID数据库对共有靶点进行基因本体(GO)功能注释及京都基因与基因组百科全书(KEGG)通路富集分析,进而构建“功效成分-潜在靶点-作用通路”网络以筛选关键功效成分与作用通路。最后,通过分子对接技术,对核心潜在靶点和关键功效成分进行分子对接以验证网络分析预测结果。结果表明,从竹叶青酒中共获得113个潜在活性成分。竹叶青酒可能以柚皮素、京尼平、金合欢素、山奈酚、川陈皮素、苜蓿素为关键功效成分,作用于磷脂酰肌醇3-激酶/蛋白激酶B(PI3K-AKT)、Toll样受体(TLRs)等信号通路上的RAC-α丝氨酸/苏氨酸蛋白激酶1(AKT1)、JUN原癌基因(JUN)、信号转导和转录激活因子3(STAT3)等靶点,发挥缓解急性肝损伤的作用。In this study,the potential functional components in Zhuyeqing liquor were screened and detected by Traditional Chinese Medicine Systems Pharmacology Database(TCMSP)database and ultra-high performance liquid chromatography-quadrupole-time of flight-tandem mass spectrometry(UPLC-Q-TOF-MS/MS)technique,the components and disease targets were predicted by network pharmacology,the gene ontology(GO)function annotation and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis were performed on common targets through DAVID database,and a network of"functional components-potential targets-pathways"was constructed to screen the key functional ingredients and action pathways.Finally,through molecular docking technology,molecular docking studies were carried out on the core potential targets and key functional components to verify the predicted results of network analysis.The results showed that a total of 113 potential active ingredients were obtained from Zhuyeqing liquor.The key functional ingredients of Zhuyeqing liquor might be naringenin,genipin,acacetin,kaempferol,tangerine and tricin,acting on RAC-alpha serine/threonine kinase 1(AKT1),Jun Proto-Oncogene(JUN),signal transduction,activator of transcription 3(STAT3)and other targets of phosphoinositide 3-kinase/protein kinase B(PI3K-AKT),Toll-like receptors(TLRs)and other signaling pathways,to play a role in alleviating acute liver injury.

关 键 词：竹叶青酒 网络药理学 超高效液相色谱-四极杆-飞行时间-串联质谱 急性肝损伤 功效成分 分子对接 

分 类 号：TS262.7[轻工技术与工程—发酵工程]