【摘要】 目的 通过提取蒙药嘎拉图呼和挥发油部位，进行化学成分鉴定，结合网络药理学分析探讨传统蒙药复方嘎拉图呼和抗胃癌潜在作用机制。方法 采用气相色谱-质谱（GC-MS) 联用法定性分析嘎拉图呼和挥发油部位成分，并结合 Pubchem 和 Swiss Target Prediction 数据库，进行活性成分靶点的筛选；在 Gene Cards、OMIM、Pharm Gkb、TTD、DrugBank 数据库中检索胃癌相关的靶点；利用在线 Venn 将查到的靶点信息取交集；Cytoscape 3.9.0 软件构建成分-靶点-疾病网络图筛选关键成分；STRING 11.0数据库构建蛋白互作网络筛选核心作用靶点，利用DAVID 数据库进行 GO 功能和 KEGG通路富集分析；利用 Discovery Studio 2019进行核心靶点与相应小分子化合物之间分子对接。结果 通过 GC-MS 共鉴定出嘎拉图呼和挥发油部位中56种成分；以GC-MS 结果为基础，通过化学成分靶点预测数据库搜索并获得 46个活性成分，150 个活性靶点；化学成分靶点与胃癌相关靶点取交集，获得 135 个潜在治疗基因；进行 GO 功能富集与 KEGG 通路分析，获得包括 G 蛋白偶联信号通路、乙酰胆碱受体信号通路等多条胃癌相关信号通路；PPI 蛋白互作筛选核心基因，结果显示VEGFA、KDR、PTGS2和MAPK14为挥发油治疗胃癌的潜在作用靶点。结论 蒙药嘎拉图呼和挥发油中的46个有效成分可能通过调控 VEGFA、KDR、PTGS2和MAPK14参与多条信号通路共同发挥抗胃癌作用。本研究为进一步探讨蒙药复方抗胃癌作用机制提供数据依据。

【Abstract】Objective By extracting the volatile oil components of Mongolian medicine Galatuhu and identifying their chemical components, combined with network pharmacology analysis, the potential mechanism of anti gastric cancer action of traditional Mongolian medicine compound Galatuhu is explored. Methods The components of volatile oil from Galatuhu has been analyzed by the gas chromatography-mass spectrometry (GC-MS), and the active ingredient targets have been screened by Pubchem and Swiss Target Prediction database. The disease targets related to gastric cancer were searched in the Gene Cards、OMIM、Pharm Gkb、TTD、DrugBank databases. The intersection genes were extracted by the online Venn. The component-target-disease network graph was built using a Cytoscape 3.9.0 software to screen the key components.STRING 11.0 Database Construction Protein Interaction Network Screening for Core Action Targets.The enrichment analysis of Gene ontology (GO) function and Kyoto encyclopedia of genes and genomes (KEGG) pathway was achieved by the DAVID database.Utilize Discovery Studio 2019 for molecular docking between core targets and corresponding small molecule compounds. Results 56 chemical components were identified by GC-MS, and 150 targets corresponding to 46 active components were obtained by the virtual screening. 135 potential therapeutic genes were obtained through intersection with gastric cancer-related targets; GO functional enrichment and KEGG pathway analysis were performed to obtain multiple gastric cancer-related biological signaling pathways, including G protein-coupled signaling pathways, acetylcholine receptor signaling pathways, and other biological signaling pathways.PPI-protein interaction screened core genes, and the results showed that VEGFA, KDR, PTGS2 and MAPK14 were potential targets of volatile oil in the treatment of gastric cancer.Conclusions The 46 active components in the volatile oil of Mongolian medicine Galatu Hohe may play an anti-gastric cancer role by regulating VEGFA, KDR, PTGS2 and MAPK14 and participating in multiple signaling pathways.This study provides data basis for further exploring the mechanism of anti gastric cancer effect of Mongolian medicine.

内蒙古自治区自然科学基金项目（2023QN08050）;内蒙古自治区高等学校科学研究项目（NJZY23135），内蒙古医科大学青年项目（YKD2022QN004），2022年度大学生创新创业培训计划（202210132071）