摘要
目的基于网络药理学及分子对接探究中药复方芪明颗粒发挥“眼肾同治”作用治疗糖尿病视网膜病变(DR)和糖尿病肾病(DN)的药理学机制。方法运用TCMSP和TCMID数据库检索筛选芪明颗粒的活性成分及成分靶点。通过GeneCards、TTD、Drug⁃Bank和OMIM数据库分别筛选DR和DN的靶点基因。汇总去重后与所获得的芪明颗粒成分靶点取交集,并导入STRING平台整合评估交集靶点的蛋白质间相互作用,最后借助Cytoscape 3.9.1软件构建“芪明颗粒⁃活性成分⁃作用靶点”网络和蛋白质互作网络。运用DAVID数据库对作用靶点进行基因本体(GO)分析和京都基因与基因组百科全书(KEGG)通路富集分析。最后利用AutoDock 1.5.7软件对核心作用靶点及主要药效成分进行分子对接。结果芪明颗粒治疗DR和DN的主要药效成分共8种,核心靶点共6个。GO富集涉及的条目包括生物过程1289个,细胞组成155个,分子功能263个。KEGG富集结果显示涉及的通路202个。分子对接结果显示主要药效成分与核心作用靶点具有很好的结合亲和力。结论芪明颗粒以其多成分、多靶点的优势,协同调控多种机制治疗DR和DN,其所突出的“眼肾同治”的治疗特色符合现代精准医疗所提倡的诊疗理念。本研究为今后开展芪明颗粒的药效研究及DR和DN的中医治疗研究阐明了路径。
Objective To explore the pharmacological mechanism of Compound Qiming Granules in the treatment of diabetic retinopathy(DR)and diabetic nephropathy(DN)based on network pharmacology and molecular docking.Meth⁃ods Traditional Chinese Medicine Systems Pharmacology and Traditional Chinese Medicine Integrated Database were used to search the active ingredients and component targets of Qiming Granules.GeneCards,Therapeutic Targets Database,DrugBank and Online Mendelian Inheritance in Man were used to screen the target genes of DR and DN.The intersection of component targets of Qiming Granules after removing duplicates was obtained and imported into the Search Tool for Re⁃trieval of Interacting Genes/Proteins to integrate and evaluate the protein⁃protein interaction(PPI)of the intersection tar⁃gets.The“Qiming Granules⁃active ingredients⁃targets”network and PPI network were constructed with Cytoscape 3.9.1.Database for Annotation,Visualization and Integrated Discovery was used for gene ontology(GO)analysis and Kyoto Ency⁃clopedia of Genes and Genomes(KEGG)pathway enrichment analysis.Finally,AutoDock 1.5.7 was used to perform mo⁃lecular docking of the core targets and main active ingredients.Results Qiming Granules had 8 main active ingredients and 6 core targets in the treatment of DR and DN.GO enrichment results showed that there were 1289 entries involved in the biological process,155 involved in cellular components and 263 involved in molecular function.KEGG enrichment re⁃sults showed that 202 pathways were involved.Molecular docking results showed that the main active ingredients had a good binding affinity with the core targets.Conclusion Qiming Granules,with the advantages of multi⁃ingredients and multi⁃targets,synergistically regulate various mechanisms to treat DR and DN.Its prominent characteristics of“treating eye diseases and kidney diseases”are in line with the diagnosis and treatment concepts advocated by modern precision medi⁃cine.This study lays the foundation for future research on the efficacy of Qiming Granules and the traditional Chinese medi⁃cine treatment of DR and DN.
作者
周茹玉
罗向霞
洪卓民
曾敏
邓梦
杨芮
郑菀睿
ZHOU Ruyu;LUO Xiangxia;HONG Zhuomin;ZENG Min;DENG Meng;YANG Rui;ZHENG Wanrui(Clinical College of Traditional Chinese Medicine,Gansu University of Traditional Chinese Medicine,Lanzhou 730000,Gansu Province,China;Gansu Provincial Hospital of Traditional Chinese Medicine,Lanzhou 730050,Gansu Province,China)
出处
《眼科新进展》
CAS
北大核心
2023年第5期369-374,共6页
Recent Advances in Ophthalmology
基金
国家自然科学基金资助(编号:81960888)
甘肃省兰州市人才创新创业项目(编号:2019⁃RC⁃62)
甘肃省兰州市科技厅重点研发项目(编号:20YF3FA019)。
关键词
芪明颗粒
糖尿病视网膜病变
糖尿病肾病
网络药理学
眼肾同治
分子对接
Qiming Granules
diabetic retinopathy
diabetic nephropathy
network pharmacology
treating eye disea⁃ses and kidney diseases
molecular docking
