基于网络药理学和分子对接技术探讨益气活血方治疗糖尿病肾病的作用机制
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国家自然科学基金面上项目(82274614);广东省基础与应用基础研究基金联合基金项目(2019A1515110017);广东省医学科研基金项目(B2021056);东莞市科技特派员项目(20201800500102);广东医科大学学科建设项目(4SG21229GDGFY01)


Mechanism of Yiqi Huoxue Prescription in treatment of diabetic nephropathy based on network pharmacology and molecular docking
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    摘要:

    探讨运用网络药理学与分子对接技术,分析自拟益气活血方治疗糖尿病肾病(DN)的有效成分、潜在靶点和作用机制。方法 通过多个公共数据库获得益气活血方中活性成分的潜在靶点及DN的疾病靶点,并获得交集靶点,对交集靶点进行GO和KEGG分析,蛋白质-蛋白质相互作用(PPI)分析与网络构建;利用Autodock vina软件对重要成分及关键靶点进行分子对接。结果 网络药理学分析获得有效活性成分78个、成分靶点223个、疾病靶点1002个、交集靶点81个、关键靶点15个。富集的 KEGG 通路有胰岛素抵抗、 PI3K-Akt 信号通路等。分子对接结果显示山柰酚、木樨草酸等成分对大部分靶点具有亲和力。结论 益气活血方可能通过调节炎症与细胞自噬、促进ECM蛋白的降解、调节外周组织对胰岛素的敏感性及胰腺β细胞的增殖和凋亡等作用机制达到治疗DN的作用

    Abstract:

    The network pharmacology and molecular docking technology were applied to explore the active components, potential targets and the mechanism of Yiqi Huoxue Prescription on treating Diabetic Nephropathy.It aims to put forward new treatment ideas for Diabetic Nephropathy (DN).Methods Multiple public databases were used to select the active compounds and their potential targets of Yiqi Huoxue Prescription and the disease targets of DN.The intersection targets of the two were obtained to perform GO and KEGG analysis, PPI analysis and network construction.Finally, molecular docking studies were carried out on key components and targets by using Autodock Vina software.Results A total of 78 active components and 223 potential targets of Yiqi Huoxue Prescription, 1002 disease targets of DN, 81 intersection targets and 15 key targets were obtained by network pharmacology analysis.The results of KEGG pathway included insulin resistance, PI3K-Akt signaling pathway and so on.Molecular docking results showed that kaempferol, Luteolin and other components had affinity for most of the targets.Conclusion Yiqi Huoxue Prescription may treat DN by regulating inflammation and autophagy, promoting the degradation of ECM protein, regulating the sensitivity of peripheral tissues to insulin and the proliferation and apoptosis of pancreatic β cells.But further experimental research and verification are still needed

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  • 在线发布日期: 2023-06-19
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