摘要
目的:探索黄芪-地龙药对治疗痛性糖尿病周围神经病变的作用机制。方法:通过中药系统药理学数据库与分析平台(TCMSP)筛选黄芪的活性成分,在中国知网、万方、维普等平台搜索有关地龙成分的文献,对得到的成分进行机体对外源化学物的吸收、分布、代谢和排泄筛选,并在SwissTargetPretection网站中预测作用靶点。在人类基因数据库(GeneCards)、人类在线孟德尔遗传数据库(OMIM)中找出痛性糖尿病周围神经病变的相关靶点,运用微生信平台绘制韦恩图,得到交集靶点。在David数据库中进行生物信息学基因本体论(GO)分析和京都基因与基因组百科全书(KEGG)通路富集分析。利用Cytoscape及STRING数据库构建药物-活性成分-靶点网络图和蛋白质-蛋白质相互作用网络图,并筛选出核心靶点。最后运用AutoDock进行分子对接,将对接结果用PyMOL可视化。结果:得到黄芪-地龙的有效成分47个、作用靶点631个,疾病靶点5381个,两者交集靶点391个,筛选出核心靶点77个。GO富集分析主要涉及对外源性刺激的反应、蛋白质磷酸化、蛋白质自磷酸化等生物过程。KEGG通路主要包括癌症通路、糖尿病并发症中的晚期糖基化终末产物-晚期糖基化终末产物受体信号通路、前列腺癌、脂质和动脉粥样硬化、磷脂酰肌醇3激酶-蛋白激酶B信号通路等。分子对接显示化合物与核心靶点均具有较好的结合力,尤其是槲皮素与肿瘤坏死因子。结论:黄芪-地龙药对通过多成分、多靶点、多通路实现对痛性糖尿病周围神经病变的治疗作用,为后续研究提供了理论依据及新思路。
Objective:To explore the action mechanism of Huangqi(Radix Astragali)-Dilong(Pheretima)medicine pair in the treatment of painful diabetic peripheral neuropathy.Methods:The active components of Huangqi were screened through TCMSP,and the literature on the components of Dilong was searched in CNKI,Wanfang data,and VIP platforms.The screen of absorption,distribution,metabolism and excretion of exogenous chemicals in the body was performed on the obtained components,and the action targets were predicted in SwissTargetPretection website.The relevant targets of painful diabetic peripheral neuropathy were identified in GeneCards and OMIM,and Venn diagram was drew by bioinformatics platform to obtain the intersection targets.The bioinformatics GO analysis and KEGG pathway enrichment analysis were performed by David database.The drug-active component-target network map and protein-protein interaction network map were constructed using Cytoscape and STRING databases,and core targets were selected.Finally,AutoDock was used for molecular docking,and the docking results were displayed by PyMOL.Reults:A total of 47 effective active components and 631 targets of Huangqi-Dilong medicine pair,5381 disease targets,and 391 intersection targets of medicines and diseases were obtained,and there were 77 core targets.The GO enrichment analysis mainly involved biological processes such as response to exogenous stimuli,protein phosphorylation,and protein autophosphorylation.The KEGG pathways mainly included cancer pathway,AGE-RAGE signaling pathway in diabetic complications,prostate cancer,lipid and atherosclerosis,PI3K-Akt signaling pathway,etc..Molecular docking results showed that the compounds had good binding strength with core targets,especially quercetin and TNF.Conclusion:Huangqi-Dilong medicine pair can gain the therapeutic effect on painful diabetic peripheral neuropathy through multi-component,multi-target and multi-pathway,which provides a theoretical basis and new ideas for subsequent research.
出处
《中医临床研究》
2024年第31期27-34,共8页
Clinical Journal Of Chinese Medicine
基金
辽宁省自然科学基金指导计划项目(20170540610)。
关键词
黄芪
地龙
痛性糖尿病周围神经病变
网络药理学
分子对接
Huangqi
Dilong
Painful diabetic peripheral neuropathy
Network pharmacology
Molecular docking
