基于HPLC-Q-TOF-MS/MS技术的蒲公英化学成分分析及其抗癌机制的网络药理学研究

为了探究蒲公英主要成分，分析其抗癌的可能机制及作用靶点，借助HPLC-Q-TOF-MS/MS技术对蒲公英提取物进行分析，利用SwissADME、Swiss Target Prediction和GeneCards数据库获取蒲公英主要活性成分和抗癌的作用靶点，通过String在线数据库构建靶蛋白相互作用网络，并利用DVIAD在线数据库对关键靶点进行GO和KEGG富集分析。最终从蒲公英提取物中共鉴定出29个化合物，主要包括有机酸类、黄酮类等化学成分，筛选到10个活性成分，成分-疾病的共同靶点84个。网络分析显示，主要活性成分为槲皮素、木犀草素、芹菜素等，关键靶点为AKT1、EGFR、SRC、ESR1、PTGS2、MMP9、KDR、MMP2、PIK3R1,并且涉及氧化-还原、负调控凋亡、蛋白质自磷酸化、ATP结合、蛋白激酶活性、蛋白丝氨酸/苏氨酸激酶活性、酶结合等过程，和癌症通路、癌症蛋白聚糖、PI3K-Akt信号通路等通路。综上，蒲公英是通过多成分、多靶点、多途径来发挥抗癌作用的。

Chemical composition analysis of Taraxacum mongolicum based on HPLC-Q-TOF-MS/MS and network pharmacology study on its anticancer mechanism

To identify and analyze the main ingredients of Taraxacum mongolicum and to explore its therapeutic targets for cancer, HPLC-Q-TOF-MS/MS was used to analyze the extract in T.mongolicum. The active components of the T.mongolicum and the targets for anticancer were screened and predicted by SwissADME,Swiss target prediction and Genecards database.A target protein interaction network was constructed through the String online database, and the GO and KEGG enrichment analysis on key targets were performed by the DVIAD online database.Finally, a total of 29 compounds were identified from extract, including organic acids, flavonoids and other chemical components.Ten active ingredients were obtained, and 84 common targets for ingredients and diseases were screened.Further network analysis showed the main active ingredients including quercetin, luteolin, apigenin.The key targets were AKT1,EGFR,SRC,ESR1,PTGS2,MMP9,KDR,MMP2 and PIK3 R1.In addition, the main process involved oxidation-reduction process, negative regulation of apoptotic process, protein autophosphorylation, ATP binding, protein kinase activity, protein serine/threonine kinase activity, enzyme binding, and the main pathway included pathways in cancer, proteoglycans in cancer, PI3 K-Akt signaling pathway, etc.In summary, T.mongolicum plays a role in anticancer through multi-component, multi-target, and multi-pathways.