基于HPLC-Q-TOF-MS/MS技术的石见穿化学成分分析及其治疗胃癌的网络药理学探究

Chemical composition analysis of Salvia chinensis based on HPLC-Q-TOF-MS/MS method and its network pharmacology exploration in the treatment of gastric cancer

摘要:

为了探究石见穿主要成分，分析其治疗胃癌的可能机制及作用靶点，借助HPLC-Q-TOF-MS/MS技术对石见穿水提物进行分析，并运用TCMSP平台筛选石见穿潜在活性成分，从石见穿水提物中共鉴定出48个化合物，主要包括酚酸类、黄酮类等化学成分，其中，具有较好体内活性作用的成分共计9个.通过搜索SwissTargetPrediction数据库得到活性成分的治疗靶点，并与DisGeNET数据库检索所得的胃癌靶点取交集，获得石见穿治疗胃癌的靶点共计18个.通过DAVID进行GO和KEGG富集分析，发现石见穿在胃癌治疗中共涉及到48个生物过程（BP），8个细胞组分（CC）、27个分子功能（MF）及8条通路.最后，运用STRING数据库及Cytoscape软件构建PPI网络，结果表明EGFR、CDH1、CTNNB1、PTGS2、EGF等在内的靶点蛋白在PPI网络中发挥着关键作用.由此，可得出结论，石见穿体内活性成分较为丰富，主要通过对药物反应、质膜、酶结合等，发挥抑制增殖、迁移，诱导凋亡，降低耐药等作用而治疗胃癌.

Abstract:

To identify and analyze the main ingredients of Salvia chinensis and to explore its therapeutic targets for gastric cancer, HPLC-Q-TOF-MS/MS was used to analyze the water dissolved compositions in Salvia chinensis and the TCMSP platform was used to screen the potential active ingredients. The results showed that a total of 48 compounds were identified, mainly including phenolic acids, flavonoids and other common substances. And among 48 compounds, there were 9 ingredients owning excellent in vivo activity. The therapeutic targets of the active ingredients were obtained by searching the Swiss Target Prediction database, and then taking the intersection with the gastric cancer targets retrieved from the DisGeNET database, a total of 18 targets for the treatment of gastric cancer were obtained. GO and KEGG pathway enrichment analysis using DAVID revealed that the components from Salvia chinensis involved 48 biological processes (BP), 8 cellular components (CC), 27 molecular functions (MF) and 8 pathways in the treatment of gastric cancer. Finally, STRING database and Cytoscape software were used to construct a PPI network. The results showed that target proteins such as EGFR、CDH1、CTNNB1、PTGS2、EGF, etc. played a key role in the PPI network. It can be concluded that there are various active ingredients in Salvia chinensis, and they can treat gastric cancer mainly by inhibiting proliferation, migration, inducing apoptosis, reducing drug resistance through drug reaction, plasma membrane, enzyme binding, etc.