联合UPLC-Q-TOF-MS和网络药理学分析杞精明目汤的治疗机制  

Analysis of the therapeutic mechanism of Qijing Mingmu Decoction by UPLC-Q-TOF-MS and network pharmacology

作　　者：杨锴昱 李青松 符之瑄 干静云 杨俊倚 李毛宁 YANG Kaiyu;LI Qingsong;FU Zhixuan;GAN Jingyun;YANG Junyi;LI Maoning(Shanghai Putuo Central School of Clinical Medicine,Anhui Medical University,Anhui Province,Hefei230022,China;Department of Ophthalmology,Putuo District Central Hospital Affiliated to Shanghai University of Traditional Chinese Medicine,Shanghai200062,China)

机构地区：[1]安徽医科大学上海普陀中心临床学院,安徽合肥230032 [2]上海中医药大学附属普陀区中心医院眼科,上海200062

出　　处：《中国当代医药》2024年第34期4-10,17,共8页China Modern Medicine

基　　金：上海市卫生健康委员会临床研究专项(202040148)。

摘　　要：目的基于超高效液相色谱-四极杆飞行时间质谱(UPLC-Q-TOF-MS)和网络药理学分析杞精明目汤(QJMM)治疗结膜松弛症(CCH)的机制。方法应用UPLC-Q-TOF-MS方法分析QJMM的成分,接着在TCMSP官网和Uniprot数据库中筛选成分对应的人类抗炎、抗凋亡和抗衰老靶点,利用String数据库和Cytoscape 3.10.0软件绘制出蛋白质-蛋白质相互作用网络图,使用DAVID数据库和微生信网站进行基因功能(GO)与京都基因组百科全书(KEGG)富集分析。结果通过UPLC-Q-TOF-MS方法得到QJMM含有66种成分,成分中作用最强的是芦丁。药物总靶点有14个,关键靶点涉及PTGS2、PTGS1、ACHE、AR、F2、PIK3CG等基因。GO富集分析结果共76个,主要涉及正性调节血管内皮生长因子产生、胞外基质和氧化还原酶活性等。QJMM的KEGG富集通路共56个结果,主要有炎症相关的白介素-17信号通路和肿瘤坏死因子信号通路、花生四烯酸代谢;代谢相关的非酒精性脂肪性肝病、脂质和动脉粥样硬化和酒精性肝病通路;癌症相关的癌症通路和小细胞肺癌通路;衰老相关的阿尔茨海默病和胞质DNA传感通路及其他细菌和病毒感染相关通路。结论采用UPLC-Q-TOF-MS和网络药理学探明QJMM的原型成分,并可推测QJMM可能通过抗炎、抗凋亡和抗衰老的相关信号通路发挥对CCH的治疗作用。Objective To analyze the mechanism of Qijing Mingmu Decoction(QJMM)in the treatment of conjunctivochalasis(CCH)based on ultra-high performance liquid chromatography with quadrupole time-of-flight mass spectrometry(UPLC-Q-TOF-MS)and network pharmacology.Methods UPLC-Q-TOF-MS was used to analyze the components of QJMM,and then the corresponding human anti-inflammatory,anti-apoptosis and anti-aging targets were screened in TCMSP website and Uniprot database.The protein interaction network was drawn by String database and Cytoscape 3.10.0 software.Gene ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analysis were performed using DAVID database and wechat website.Results By UPLC-Q-TOF-MS method,QJMM contained 66 components,and rutin was the most potent component.There were 14 total drug targets,and the key targets involved PTGS2,PTGS1,ACHE,AR,F2,PIK3CG and other genes.A total of 76 GO enrichment analysis results were found,mainly involving positive regulation of vascular endothelial growth factor production,extracellular matrix and oxidoreductase activity.There were 56 KEGG enrichment pathways of QJMM,mainly including inflammation-related interleukin-17 signaling pathway,tumor necrosis factor signaling pathway and arachidonic acid metabolism.Metabolism-related nonalcoholic fatty liver disease,lipid and atherosclerotic and alcoholic liver disease pathways;Cancer-related cancer pathways and small cell lung cancer pathways;Age-related Alzheimer's disease and cytoplasmic DNA sensing pathways and other pathways associated with bacterial and viral infections.Conclusion UPLC-Q-TOF-MS and network pharmacology were used to explore the prototype components of QJMM,and it can be speculated that QJMM may play a therapeutic effect on CCH through anti-inflammatory,anti-apoptosis and anti-aging related signaling pathways.

关 键 词：结膜松弛症 杞精明目汤 超高效液相色谱-四极杆飞行时间质谱 网络药理学 

分 类 号：R285.5[医药卫生—中药学]