摘要
目的运用网络药理学和分子对接技术探讨四逆散“异病同治”溃疡性结肠炎(UC)和慢性胃炎(CG)的潜在作用机制。方法从TCMSP数据库检索四逆散主要成分及对应靶点,结合DisGeNET、GeneCards和OMIM数据库分别获取两种疾病的靶点,将两者取交集得到四逆散“异病同治”UC与CG的潜在靶点。运用STRING数据库及Cytoscape 3.9.1制作“药物成分靶点”网络模型及PPI网络图。运用DAVID数据库对交集靶点进行GO和KEGG富集分析,再通过BioGPS和GeneCards数据库获取组织分布以及亚细胞分布的信息。运用分子对接验证主要成分与关键靶点间的联系。结果四逆散4味核心药物共含144个活性成分和207个相关靶点,筛选出1756个UC的疾病靶点以及955个CG的疾病相关靶点,三者取交集共获得64个潜在治疗靶点。GO功能富集结果显示有62个分子功能、39个细胞组成、461个生物过程。KEGG分析得到142条通路途径,其中癌症通路、IL-17信号通路、TNF信号通路可能是四逆散“异病同治”UC和CG的主要途径。分子对接结果显示,主要成分槲皮素、木犀草素、山柰酚、柚皮素、川陈皮素和关键靶点AKT1、TNF、TP53、IL6结合良好。结论四逆散可能通过槲皮素、木犀草素、山柰酚、柚皮素和川陈皮素等主要活性成分作用于AKT1、TNF、TP53、IL6等核心靶点从而治疗UC和CG,为从现代医学角度更好地理解中医“异病同治”理论提供了支撑依据。
Objective To explore the underlying mechanism of Sini powder in treating ulcerative colitis(UC)and chronic gastritis(CG)by using network pharmacology and molecular docking techniques.Methods The main components and corresponding targets of Sini powder were obtained from TCMSP database,the targets of two diseases were obtained by searching DisGeNET,GeneCards and OMIM databases,and the potential targets of UC and CG were obtained by intersection of the two.The“drug ingredient target”network model and PPI network diagram were made using STRING database and Cytoscape 3.9.1.GO and KEGG enrichment analyses were performed for intersection targets using DAVID database,and tissue distribution and subcellular distribution information were obtained from BioGPS and GeneCards database.Molecular docking was used to verify the relationship between main components and key targets.Results The four core drugs of Sini powder contained 144 active ingredients and 207 related targets.A total of 1756 disease targets of UC and 955 disease targets of CG were screened,and 64 potential therapeutic targets were obtained by intersection of the three.The results of GO functional enrichment showed 62 molecular functions,39 cellular components,and 461 biological processes.KEGG analysis showed 142 pathways,among which cancer pathway,IL-17 signaling pathway and TNF signaling pathway might be the main pathways of UC and CG.Molecular docking results showed that the main components quercetin,luteolin,kaempferol,naringenin and nobiletin were well combined with the key targets AKT1,TNF,TP53 and IL6.Conclusion Sini powder may treat UC and CG through its main active ingredients such as quercetin,luteolin,kaempferol,naringenin and nobiletin on core targets such as AKT1,TNF,TP53 and IL6,providing support for better understanding the theory of“treating different diseases with the same method”in traditional Chinese medicine from the perspective of modern medicine.
作者
晁阳
王晓鸽
许二平
CHAO Yang;WANG Xiaoge;XU Erping(Department of Spleen,Stomach,Liver,and Gallbladder Diseases,The First Affiliated Hospital of Henan University of Chinese Medicine,Zhengzhou 450003,China;The First Clinical Medical School of Henan University of Chinese Medicine,Zhengzhou 450046,China;Henan University of Chinese Medicine,Zhengzhou 450008,China)
出处
《空军军医大学学报》
2025年第4期453-461,共9页
Journal of Air Force Medical University
基金
河南省科技研发计划联合基金(222301420021)。
关键词
四逆散
溃疡性结肠炎
慢性胃炎
异病同治
网络药理学
分子对接
Sini powder
ulcerative colitis
chronic gastritis
treating different diseases with the same method
network pharmacology
molecular docking
