摘要
目的采用网络药理学探究芍药甘草汤治疗慢性萎缩性胃炎(CAG)的作用机制。方法利用中药系统药理学数据库与分析平台(TCMSP)数据库、文献挖掘整理芍药甘草汤化学成分;利用GeneCards、OMIM、DrugBank、TTD数据库收集CAG的相关靶点;利用Venn图筛选交集靶点,由Cytoscape软件构建“活性成分-疾病靶点”网络,由String数据库和Cytoscape软件构建蛋白质-蛋白质相互作用(PPI)网络;利用Metascape数据库进行GO功能富集分析和KEGG通路富集分析;利用AutoDock软件进行分子对接。结果筛选出芍药甘草汤有效活性成分103个,与CAG相关靶点76个,重要活性成分包括槲皮素、山奈酚、柚皮素、甘草查尔酮A,核心靶点包括丝氨酸/苏氨酸蛋白激酶1(AKT1)、肿瘤抑制因子p53(TP53)、肿瘤坏死因子(TNF)等,KEGG通路主要富集于白细胞介素-17(IL-17)、TNF、缺氧诱导因子1(HIF-1)等通路。分子对接结果显示化合物与关键靶点有较好的结合能力。结论芍药甘草汤可通过多成分、多靶点、多通路发挥对CAG的治疗作用。
Objective To explore the mechanism of Shaoyao Gancao decoction in the treatment of chronic atrophic gastritis(CAG)by network pharmacology.Methods The traditional Chinese medicine systems pharmacology database and analysis platform(TCMSP)database and literature mining were used to sort out the chemical constituents of Shaoyao Gancao decoction.GeneCards,OMIM,DrugBank and TTD databases were used to collect relevant targets of CAG.The Venn diagram was used to screen the intersection targets,and the"active component-disease target"network was constructed by Cytoscape software.The protein-protein interaction(PPI)network was constructed by String database and Cytoscape software.GO functional enrichment analysis and KEGG pathway enrichment analysis were performed by Metascape database.Molecular docking was performed by AutoDock software.Results A total of 103 effective active ingredients of Shaoyao Gancao decoction and 76 CAG-related targets were screened.The important active ingredients include quercetin,kaempferol,naringenin and licochalcone A.The core targets include akt serine/threonine kinase 1(AKT1),tumor protein p53(TP53),tumor necrosis factor(TNF),etc.The KEGG pathway is mainly enriched in interleukin-17(IL-17),TNF,hypoxia-inducible factor-1(HIF-1)and other pathways.Molecular docking results showed that the compounds had good binding ability with key targets.Conclusion Shaoyao Gancao decoction can play a therapeutic role in CAG through multi-component,multi-target and multi-pathway.
作者
张科楠
刘文文
袁倩文
汪亚娅
赵旭
郝晓风
崔凌雲
张淑玲
ZHANG Kenan;LIU Wenwen;YUAN Qianwen;WANG Yaya;ZHAO Xu;HAO Xiaofeng;CUI Lingyun;ZHANG Shuling(Pharmacy Department,Sun Simiao Hospital of BUCM,Tongchuan 727100;Acupuncture and Moxibustion Department,Traditional Chinese Medicine Hospital of Tongchuan,North Branch,Tongchuan 727100,China)
出处
《临床医学研究与实践》
2024年第1期44-48,共5页
Clinical Research and Practice
关键词
芍药甘草汤
慢性萎缩性胃炎
网络药理学
分子对接
Shaoyao Gancao decoction
chronic atrophic gastritis
network pharmacology
molecular docking
