首页|基于网络药理学与分子对接探讨芍药苷治疗糖尿病的作用

基于网络药理学与分子对接探讨芍药苷治疗糖尿病的作用

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目的 基于网络药理学与分子对接技术,探究芍药苷作用糖尿病的相关靶点及通路,初步探讨潜在作用机制.方法 用小分子靶点预测数据库对芍药苷的潜在靶点进行分析.在Genecards、OMIM数据库中收集糖尿病相关疾病基因.两者取交集后,用STRING、Cytoscape程序建立蛋白-蛋白相互作用(PPI)网络系统,检索相关性强的关键基因,并完成基因本体(GO)及京都基因与基因组百科全书(KEGG)富集分析研究.用AutoDockTools、Pymol程序完成蛋白质分子对接验证.结果 通过网络药理学相关研究,得到芍药苷相关靶点63个,糖尿病相关基因4 758个,交集靶点50个,筛选出血管内皮生长因子A(VEGFA)、表皮生长因子受体(EGFR)、肉瘤病毒癌基因同源物(HRAS)、原癌基因酪氨酸蛋白(SRC)和热休克蛋白基因(HSP90AA1)5个关键基因.KEGG通路分析得到Ras相关蛋白1、Ras、钙等信号通路.分子对接结果显示,芍药苷与关键基因具有良好的结合能力.结论 芍药苷可通过多靶点、多通路治疗糖尿病,该机制可为芍药苷在抗糖尿病方面的应用及药物研发提供依据.
Role of paeoniflorin in the treatment of diabetes based on network pharmacology and molecular docking
Objective To explore the potential mechanism of action of paeoniflorin in diabetes mellitus,the related targets and pathways were preliminarily discussed,based on the network pharmacology and molecular docking technology.Methods Analyze the potential targets of paeoniflorin using the Swiss Target Prediction database.Genecards and OMIM databases yielded the genes of diabetes-related illnesses.After taking the intersection of the two,protein-protein interaction network(PPI)was established using STRING and Cytoscape programs to search for key genes with strong correlation and complete gene ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analysis.Use AutoDockTools and Pymol programs to complete protein molecule docking validation.Results The pharmacologically-related study revealed 63 targets associated with paeoniflorin,4 758 genes related to diabetes,and 50 intersection targets.15 key genes including vascular endothelial growth factor A(VEGFA),epidermal growth factor receptor(EGFR),V-Ha-ras harvey(HRAS),V-src sarcoma(SRC)and heat shock protein hs 90-alpha(HSP90AA1)were screened.RAs-associated protein 1,Ras,calcium and other signaling pathways were obtained by KEGG pathway analysis.Molecular docking results showed that paeoniflorin had good binding ability with key genes.Conclusion Paeoniflorin can treat diabetes through multiple targets and pathways,and this mechanism can provide a basis for the application of paeoniflorin in anti diabetes and drug research and development.

Paeoniflorinnetwork pharmacologydiabetes mellitusmolecular docking

宋思瑶、陆彭、伍鼎骁、康达、何雨惠、吕莹、林岩

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齐齐哈尔医学院基础医学院,黑龙江齐齐哈尔 161000

芍药苷 网络药理学 糖尿病 分子对接

国家自然科学基金资助项目国家级大学生创新创业训练基金资助项目黑龙江省大学生创新创业训练基金资助项目

82074148202211230036S202211230045

2024

中国临床药理学杂志
中国药学会

中国临床药理学杂志

CSTPCD北大核心
影响因子:1.91
ISSN:1001-6821
年,卷(期):2024.40(15)
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