[1]周茹玉,罗向霞,洪卓民,等.中药复方芪明颗粒“眼肾同治”糖尿病视网膜病变和糖尿病肾病的网络药理学及分子对接研究[J].眼科新进展,2023,43(5):369-374.[doi:10.13389/j.cnki.rao.2023.0074]
　ZHOU Ruyu,LUO Xiangxia,HONG Zhuomin,et al.Research on the network pharmacology and molecular docking of traditional Chinese medicine Compound Qiming Granules in treating diabetic retinopathy and diabetic nephropathy[J].Recent Advances in Ophthalmology,2023,43(5):369-374.[doi:10.13389/j.cnki.rao.2023.0074]
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中药复方芪明颗粒“眼肾同治”糖尿病视网膜病变和糖尿病肾病的网络药理学及分子对接研究/HTML
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《眼科新进展》[ISSN:1003-5141/CN:41-1105/R]

卷:
43卷
期数:
2023年5期
页码:
369-374
栏目:
应用研究
出版日期:
2023-05-05

文章信息/Info

Title:
Research on the network pharmacology and molecular docking of traditional Chinese medicine Compound Qiming Granules in treating diabetic retinopathy and diabetic nephropathy
作者:
周茹玉; 罗向霞; 洪卓民; 曾敏; 邓梦; 杨芮; 郑菀睿
730000　甘肃省兰州市，甘肃中医药大学中医临床学院（周茹玉，洪卓民，曾敏，邓梦，杨芮，郑菀睿）；730050　甘肃省兰州市，甘肃省中医院（罗向霞）
Author(s):
ZHOU Ruyu1; LUO Xiangxia2; HONG Zhuomin1; ZENG Min1; DENG Meng1; YANG Rui1; ZHENG Wanrui1
1.Clinical College of Traditional Chinese Medicine,Gansu University of Traditional Chinese Medicine,Lanzhou 730000,Gansu Province,China
2.Gansu Provincial Hospital of Traditional Chinese Medicine，Lanzhou 730050，Gansu Province，China
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
Keywords:
Qiming Granules;  diabetic retinopathy;  diabetic nephropathy;  network pharmacology;  treating eye diseases and kidney diseases;  molecular docking
分类号:
R774
DOI:
10.13389/j.cnki.rao.2023.0074
文献标志码:
A
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、DrugBank 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。
Abstract:
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.
Methods　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 Retrieval of Interacting Genes/Proteins to integrate and evaluate the protein-protein interaction (PPI) of the intersection targets. 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 Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis. Finally, AutoDock 1.5.7 was used to perform molecular 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 results 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 medicine. This study lays the foundation for future research on the efficacy of Qiming Granules and the traditional Chinese medicine treatment of DR and DN.

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备注/Memo

备注/Memo:
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）
更新日期/Last Update: 2023-05-05