基于网络药理学及实验验证探讨胃宁颗粒治疗胃癌的物质基础及作用机制  

Exploring the Material Basis and Mechanism of Weining Granules against Gastric Cancer Based on Network Pharmacology and Experiment Validation

作　　者：赵桂玉 秦艺文 戴文娟 陈广玲 吴黎川 韦金锐 

机构地区：[1]广西大学医学院,广西 南宁 [2]广西中医药大学,广西中医药科学实验中心,广西 南宁

出　　处：《药物资讯》2024年第2期56-67,共12页Pharmacy Information

摘　　要：目的探究胃宁颗粒治疗胃癌的物质基础及作用机制。方法利用CCK-8及transwell实验检测胃宁颗粒对胃癌细胞增殖及迁移的影响;通过液相色谱–质谱联用及蛋白质组技术分别获得胃宁颗粒活性成分及差异表达蛋白;通过网络药理学及Cytoscape 3.9.1软件构建胃宁颗粒活性成分–靶点–胃癌网络;利用GO/KEGG开展富集分析;利用分子对接阐明关键核心靶点与活性成分的相互作用。结果共筛选出胃宁颗粒治疗胃癌有效成分23个,作用靶点19个;PI3K-Akt及凋亡通路可能是胃宁颗粒治疗胃癌的主要作用通路;VEGFA、BCL2L1及CDK4可能是胃宁颗粒治疗胃癌的关键靶点。结论刺芒柄花素、槲皮素、莪术二酮可能是胃宁颗粒治疗胃癌的物质基础,与调控VEGFA、BCL2L1及CDK4信号通路有关。Objective to explore the material basis and mechanism of Weining Granules in the treatment of gastric cancer. Methods cell viability and migration were detected via CCK-8 and transwell assays. The active compounds and differentially expressed proteins of WNG were obtained by liquid chro-matography-mass spectrometry and proteomics techniques, respectively. The active ingredi-ent-target-gastric cancer network was constructed by using Cytoscape 3.9.1 software. GO/KEGG En-richment analysis was performed to predict the signaling pathway. Key core targets were revealed through PPI (Protein protein interaction). The interactions between key core targets and active in-gredients were explored by molecular docking. Results A total of 23 effective compounds and 19 targets of WNG were identified against gastric cancer. KEGG pathway analysis found that PI3K-Akt and apoptosis pathway may be the main therapeutic pathways of WNG against gastric cancer. The PPI action network and bioinformatics analysis reveal that VEGFA, BCL2L1, and CDK4 are key ther-apeutic targets for gastric cancer. Conclusion formononetin, quercetin, and curdione may be the main material basis of WNG in the treatment of gastric cancer, which is related to the regulation of VEGFA, BCL2L1, and CDK4 signaling pathways.

关 键 词：胃宁颗粒 胃癌 网络药理学 分子对接 作用机制 

分 类 号：R73[医药卫生—肿瘤]