摘要
目的基于网络药理学与分子对接技术探讨经典名方二冬汤治疗糖尿病的作用机制。方法通过中药系统药理数据库和分析平台(TCMSP)数据库获取二冬汤的活性成分和靶点。通过药物靶标数据库(TTD),GeneCards、OMIM数据库收集疾病靶点。筛选出与糖尿病(DM)的交集靶点。运用STRING11.5数据库和Cytoscape3.9.1软件构建蛋白质-蛋白质相互作用(PPI)网络。采用Matescape3.5进行基因本体(GO)功能富集分析和京都基因与基因百科全书(KEGG)通路富集分析,通过分子对接将关键靶点与活性成分的相互作用进行验证。结果二冬汤方中共筛选到槲皮素,山奈酚,淫羊藿素,豆甾醇,汉黄芩素,黄芩新素等22个活性化合物,通过调控脂联素(ADIPOQ),丝氨酸/苏氨酸蛋白激酶(AKT1),肿瘤坏死因子(TNF),白细胞介素2(IL2)等18个关键靶点,参与异种生物刺激的反应,氧化还原酶活性,细胞对脂质的反应,对氧气水平的反应,对激素的反应,调节脂质代谢过程,调节激酶活性等多个生物过程,影响白介素-17、流体剪切应力,脂肪细胞因子信号传导,脂质和动脉粥样硬化,胰岛素抵抗,胰岛素,胆固醇代谢,多巴胺能突触,胰高血糖素,脂肪消化和吸收,淀粉和蔗糖代谢等161个信号通路发挥治疗糖尿病的作用。分子对接结果显示槲皮素等主要活性化合物与关键靶点结合稳定。结论二冬汤可通过调控多通路、多靶点治疗糖尿病。
Objective To explore the mechanism of Erdong Decoction in the treatment of diabetes based on network pharmacology and molecular docking technology.Methods The active ingredients and targets of Erdong Decoction were obtained by TCMSP database and BATMAN database.Disease targets were collected through drug target database(TTD),GeneCards and OMIM databases.The intersection targets with diabetes mellitus(DM)were screened out.The protein-protein interaction(PPI)network was constructed using STRING11.5 database and Cytoscape3.9.1 software.Matescape3.5 was used to perform gene ontology(GO)function enrichment analysis and Kyoto Encyclopedia of Genes and Genes(KEGG)pathway enrichment analysis.The interaction between key targets and active components was verified by molecular docking.Results A total of 22 active compounds such as quercetin,kaempferol,icariin,stigmasterol,wogonin and baicalein were screened in Erdong Decoction.Through the regulation of 18 key targets such as adiponectin(ADIPOQ),serine/threonine protein kinase(AKT1),tumor necrosis factor(TNF),and interleukin 2(IL2),they were involved in multiple biological processes such as heterogeneous biological stimulation,oxidoreductase activity,cell response to lipid,response to oxygen level,response to hormones,regulation of lipid metabolism,and regulation of kinase activity,affecting interleukin-17,fluid shear stress,and adipocytokine signaling,lipid and atherosclerosis,insulin resistance,insulin,cholesterol metabolism,dopaminergic synapses,glucagon,fat digestion and absorption,starch and sucrose metabolism and other 161 signaling pathways play a role in the treatment of diabetes.Molecular docking results showed that quercetin and other major active compounds were stable binding to key targets,involving MAPK signaling pathway,cAMP signaling pathway and HIF-1 signaling pathway.Conclusion Erdong Decoction can treat diabetes by regulating multiple pathways and multiple targets.
作者
陈红
施静
雷双富
袁坤
张帆
游元元
CHEN Hong;SHI Jing;LEI Shuangfu;YUAN Kun;ZHANG Fan;YOU Yuanyuan(Neijiang Hygienism and Health Vocational College,Neijiang 641000,China;School of Medicine of Chengdu Medical College,Chengdu 610500,China)
出处
《四川中医》
2025年第8期68-76,共9页
Journal of Sichuan of Traditional Chinese Medicine
基金
成渝文化教育研究院重点课题(CYY-HX2021029902)。
关键词
二冬汤
糖尿病
网络药理学
分子对接
作用机制
Erdong decoction
Diabetes mellitus
Network pharmacology
Molecular docking
Mechanism of action
