摘要
目的采用超高效液相色谱-四极杆静电场轨道阱质谱(UPLC-QE-MS)技术对畅脉乐胶囊化学成分快速分析,并进行其抗脑血栓的网络药理学研究。方法运用UPLC-QE-MS技术,在正、负离子模式下分别对畅脉乐胶囊所含化合物进行定性分析,借助PeakView分析软件,比对部分标准品,同时参考文献,分析鉴定畅脉乐胶囊中的化学成分。利用TCMSP数据库获取畅脉乐胶囊有效化学成分及其相应靶点,运用GeneCards数据库中查得脑血栓形成相应靶点,并将其取交集。将得到的靶点进行GO和KEGG富集分析。采用STRING数据库构建PPI网络的蛋白质相互作用信息网、代谢物-靶点-GO的相互作用信息网以及代谢物-靶点-KEGG的相互作用信息网。结果UPLC-QE-MS检测得到在Composite Score>0.99的情况下,正离子模式共鉴定成分79个,负离子模式共鉴定47个。筛选出畅脉乐胶囊有效成分577个,脑血栓靶点2284个,交集靶点共267个。GO生物过程3316条,KEGG相关信号通路194条。结论UPLC-QE-MS技术方法稳定可靠,为畅脉乐胶囊的全面质量控制提供参考。同时本研究运用网络药理学方法探索了畅脉乐胶囊抗脑缺血的作用机制,网络药理学的整体性、系统性和注重药物间相互作用的特点与中医药学的“多成分、多靶点、多途径”的特点相吻合,符合中医药对疾病本质的认识,因此网络药理学为研究传统中药与现代药理学之间的相互关系搭建了桥梁。
Objective Ultra-high performance liquid chromatography-Q-exactive-mass spectrometry(UPLC-QE-MS)technology was used to rapidly analyze the chemical constituents of Changmaile Capsules,and the network pharmacology study of its anti-cerebral thrombosis was carried out.Methods In this study,UPLCQE-MS technology was used to qualitatively analyze the compounds contained in Changmaile Capsules in positive and negative ion modes,respectively.With the help of PeakView analysis software,some standard substances were compared,and relevant literature was referenced to analyze and identify the chemical components in the capsules.TCMSP database was used to obtain the effective chemical components and their corresponding targets of Changmaile Capsules,and the GeneCards database was used to find the corresponding targets of cerebral thrombosis,and take the intersection.The obtained targets were subjected to GO and KEGG enrichment analysis.The STRING database was used to construct the protein interaction information network of PPI network,the interaction information network of metabolite-target-GO,and the interaction information network of metabolitetarget-KEGG.Results UPLC-QE-MS detected a total of 79 components in the positive ion mode and 47 components in the negative ion mode when the Composite Score was>0.99.577 active ingredients of Changmaile Capsule were screened out,with 2284 cerebral thrombosis targets and 267 intersection targets.3316 GO biological processes and 194 KEGG-related signaling pathways were identified.Conclusion The UPLC-QE-MS method is stable and reliable,which provides a reference for the overall quality control of Changmaile Capsules.At the same time,this study uses the method of network pharmacology to explore the mechanism of action of Changmaile Capsule against cerebral ischemia.The holistic,systematic and focus on drug-drug interactions of network pharmacology is consistent with the"multi-component,multi-target,and multi-pathway"characteristics of traditional Chinese medicine,and is in line with the understanding of the nature of diseases in traditional Chinese medicine.Therefore,network pharmacology has built a bridge for the study of the interrelationship between traditional Chinese medicine and modern pharmacology.
作者
翁一玲
李煌
卓辰茜
刘婉婷
陈松旺
WENG Yi-ling;LI Huang;ZHUO Chen-xi(Second People's Hospital Affiliated to Fujian University of Traditional Chinese Medicine,Fuzhou 350001,China)
出处
《中国现代药物应用》
2022年第21期173-178,共6页
Chinese Journal of Modern Drug Application
基金
福建省自然科学基金面上项目(卫生联合资助)(项目编号:2019J01482)。
关键词
畅脉乐胶囊
超高效液相色谱-四极杆静电场轨道阱质谱
网络药理学
脑血栓
Changmaile Capsule
Ultra-high performance liquid chromatography-Q-exactive-mass spectrometry
Network pharmacology
Cerebral thrombosis
