基于网络药理学和分子对接技术研究党参抗胃溃疡作用机制

Study on Anti-gastric Ulcer Mechanism of Codonopsis Pilosula Based on Network Pharmacology and Molecular Docking Technology

基于网络药理学和分子对接技术探究党参治疗胃溃疡(gastric ulcer)的作用机制.利用TCMSP数据库,筛选党参治疗胃溃疡的活性成分和潜在靶点;结合Genecards数据库挖掘治疗胃溃疡的相关靶点,对党参与治疗胃溃疡的靶点进行PPI网络构建,交互处理得到党参治疗胃溃疡的关键靶点,并进行GO分析和KEGG通路富集分析;并采用分子对接技术将主要活性成分与EGFR、ESR1、CCND1、MDM2和CASP3进行分子对接.最后利用吲哚美辛损伤GES-1细胞模型进行体外实验验证,结果表明党参可能主要是通过其活性成分MOL000449实现其抗胃溃疡作用.

Based on network pharmacology and molecular docking technology,the mechanism of Codonopsis pilosula in the treatment of gastric ulcer was explored TCMSP database was used to screen the active components and potential targets of Codonopsis pilosula in the treatment of gastric ulcer;Combined with genecards database to mine relevant targets for the treatment of gastric ulcer,PPI network was constructed for the targets of Codonopsis pilosula in the treatment of gastric ulcer,the key targets of Codonopsis pilosula in the treatment of gastric ulcer were obtained through interactive processing,and GO analysis and KEGG pathway enrichment analysis were carried out;The main active components were connected with EGFR,ESR1,CCND1,MDM2 and CASP3 by molecular docking technology.Finally,the GES-1 cell model damaged by indomethacin was verified in vitro.The results showed that Codonopsis pilosula may achieve its anti-gastric ulcer effect mainly through its active component MOL000449.