中国医院用药评价与分析2024，Vol.24Issue(11)：1308-1312,1317,6.DOI:10.14009/j.issn.1672-2124.2024.11.004
基于网络药理学和分子对接探讨二陈汤治疗慢性萎缩性胃炎的作用机制
Mechanism of Erchen Decoction in the Treatment of Chronic Atrophic Gastritis Based on Network Pharmacology and Molecular Docking
摘要
Abstract
OBJECTIVE:To explore the potential mechanism of Erchen decoction in the treatment of chronic atrophic gastritis based on network pharmacology and molecular docking.METHODS:Traditional Chinese medicine systems pharmacology database and analysis platform was used to predict the active components of Erchen decoction,GeneCards,online Mendelian inheritance in man and therapeutic target database were used to screen the related targets of chronic atrophic gastritis.The protein-protein interaction network was constructed by using STRING platform and Cytoscape 3.8.2.Kyoto encyclopedia of genes and genomes(KEGG)pathway enrichment analysis and gene ontology functional enrichment analysis were performed on key targets through the DAVID platform.The binding degree of core active compounds to key targets was predicted by the SwissDock platform.RESULTS:Totally 127 key compounds,246 component targets and 892 disease targets were identified in Erchen decoction,and 95 common targets were obtained by intersection of Erchen decoction and chronic atrophic gastritis.Key active components such as quercetin,kaempferol,baicalin,glycyrrhizin A,naringin,isorhamnetin and β-sitosterol were screened,and had good binding with 8 key targets such as protein kinase B1,tumor protein p53,interleukin(IL)6,tumor necrosis factor(TNF),vascular endothelial growth factor A,IL-1β,prostaglandin G/H synthase 2 and caspase 3.KEGG results showed that Erchen decoction in the treatment of chronic atrophic gastritis through multiple pathways including cancer signaling pathway,chemical carcinogenesis-activated oxygen species signaling pathway and TNF signaling pathway.CONCLUSIONS:Erchen decoction plays a synergistic role in the treatment of chronic atrophic gastritis through multi-component,multi-target and multi-signaling pathway,and the results of network pharmacology and molecular docking can provide basis for the subsequent treatment and research of chronic atrophic gastritis.关键词
二陈汤/慢性萎缩性胃炎/网络药理学/分子对接Key words
Erchen decoction/Chronic atrophic gastritis/Network pharmacology/Molecular docking分类
医药卫生引用本文复制引用
张婧妍,马晶,郑祝平,钟丽娜,李书渊,赵晓山,林丽珍..基于网络药理学和分子对接探讨二陈汤治疗慢性萎缩性胃炎的作用机制[J].中国医院用药评价与分析,2024,24(11):1308-1312,1317,6.基金项目
国家自然科学基金重点项目(No.81830117) （No.81830117）
广东省中医药局项目(No.20221260) （No.20221260）
