摘要
目的:运用网络药理学及分子对接方法研究蒙药述达格-4治疗胃炎的作用机制。方法:利用TCMSP和Pubchem数据库筛选出述达格-4治疗胃炎的活性成分及其作用靶点,挖掘多个疾病数据库中胃炎疾病靶点,采用DAVID数据库进行GO富集分析及KEGG通路富集分析,对活性成分和靶点进行分子对接验证,同时利用UPLC法对活性成分进行验证。结果:筛选到活性成分22个,治疗胃炎的核心靶点36个,确定述达格-4治疗胃炎的主要通路,分子对接中活性成分与靶点有较低结合能,UPLC法确定其中主要活性成分。结论:明确了述达格-4治疗胃炎多因素协同调控的作用特点,为深入探讨述达格-4治疗胃炎的作用机制开拓思路。
Objective:To study the mechanism of Mongolian medicine Shudage-4 in treating gastritis by network pharmacology and molecular docking method.Methods:TCMSP and Pubchem databases were used to screen out the active ingredients and their targets for the treatment of gastritis,and the targets for gastritis diseases were extracted from multiple disease databases.DAVID database was used for GO enrichment analysis and KEGG pathway enrichment analysis,and molecular docking verification of the active ingredients and targets was conducted.The active ingredients were verified by UPLC method.Results:Twenty-two active ingredients and 36 core targets for gastritis treatment were screened,and the possible pathway for the treatment of gastritis was determined.The molecular docking of active ingredients and target had low binding energy,and the main active ingredients were determined by UPLC method.Conclusion:The characteristics of synergistic regulation of multiple factors in the treatment of gastritis are clarified,and the mechanism of the treatment of gastritis is explored.
作者
陈思远
贾鑫
王玥璇
王晓雪
康瑞雪
樊佳乐
左佳莉
董玉
CHEN Si-yuan;JIA Xin;WANG Yue-xuan;WANG Xiao-xue;KANG Rui-xue;FAN Jia-le;ZUO Jia-li;DONG Yu(College of Pharmacy,Inner Mongolia Medical University,Hohhot 010010,China;Engineering Technology Research Center of Pharmacodynamic Substance and Quality Control of Mongolian Medicine in Inner Mongolia,Inner Mongolia Medical University,Hohhot O10110,China;School of Chinese Materia Media,Tianjin University of Traditional Chinese Medicine,Tianjin 300193,China;Department of Pharmacy,Inner Mongolia International Mongolian Hospital,Hohhot O10059,China)
出处
《中华中医药杂志》
CAS
CSCD
北大核心
2022年第12期7397-7401,共5页
China Journal of Traditional Chinese Medicine and Pharmacy
基金
国家自然科学基金项目(No.82060773)
内蒙古自治区自然科学基金重大项目(No.2019ZD16)。
关键词
蒙药
述达格-4
胃炎
网络药理学
靶点
通路
Mongolian medicine
Shudage-4
Gastritis
Network pharmacology
Targets
Pathways
