基于网络药理学的黄芪-当归复方治疗糖尿病肾病作用潜在靶点研究。
Network pharmacology-based investigation of potential targets of astragalus membranaceous-angelica sinensis compound acting on diabetic nephropathy.
机构信息
The First Clinical Medical College, Shandong University of Traditional Chinese Medicine, Jinan, Shandong, China.
Division of Comprehensive Internal Medicine, Shandong University of Traditional Chinese Medicine Affiliated Hospital, Jinan, Shandong, China.
出版信息
Sci Rep. 2021 Sep 30;11(1):19496. doi: 10.1038/s41598-021-98925-6.
To explore the mechanism of the Astragalus membranaceous (AM)-Angelica sinensis (AS) compound in the treatment of diabetic nephropathy (DN) we used network pharmacology and molecular docking. Screen the components and targets of the AM-AS compound in the TCMSP and the BATMAN-TCM, and establish a component-target interaction network by Cytoscape 3.7.2. After searching relevant targets of DN in related databases, the common targets of the AM-AS compound and DN were obtained by comparison. Gene ontology (GO) analysis and Kyoto Encyclopedia of Gene and Genome (KEGG) pathway enrichment analysis were performed through David database. Molecular docking was performed by PyMoL2.3.0 and AutoDock Vina software. After screening, 142 main targets of the AM-AS compound in the treatment of DN have been identified. Target network was established and the topology of PPI network was analyzed. KEGG pathway enrichment analysis shows that these targets are related to apoptosis, oxidative stress, inflammation, insulin resistance, etc. Molecular docking shows that the target proteins have good combinations with the main active components of the AM-AS compound. AM-AS compound may treat DN by acting on VEGFA, TP53, IL-6, TNF, MARK1, etc., and regulate apoptosis, oxidative stress, inflammation, glucose, and lipid metabolism processes. The in vivo study results suggest that AM-AS compound can significantly reduce the FBG level of diabetic rats, increase the level of INS, improve renal functions, reduce urinary proteins, inhibit glycogen deposition, granulocyte infiltration and collagen fiber proliferation in renal tissue, and restrain the progress of DN. In vivo study combined with network pharmacology and molecular docking methods provides new ideas for the pathogenesis and treatments of DN.
为了探讨黄芪(AM)-当归(AS)复方治疗糖尿病肾病(DN)的作用机制,我们采用网络药理学和分子对接的方法。从 TCMSP 和 BATMAN-TCM 筛选 AM-AS 复方的成分和靶点,并用 Cytoscape 3.7.2 构建成分-靶点相互作用网络。在相关数据库中检索相关靶点后,通过比较获得 AM-AS 复方与 DN 的共同靶点。通过 DAVID 数据库进行基因本体(GO)分析和京都基因与基因组百科全书(KEGG)通路富集分析。通过 PyMoL2.3.0 和 AutoDock Vina 软件进行分子对接。筛选后,鉴定出 142 个 AM-AS 复方治疗 DN 的主要靶点。构建靶点网络,并分析 PPI 网络的拓扑结构。KEGG 通路富集分析表明,这些靶点与细胞凋亡、氧化应激、炎症、胰岛素抵抗等有关。分子对接表明,目标蛋白与 AM-AS 复方的主要活性成分具有良好的结合。AM-AS 复方可能通过作用于 VEGFA、TP53、IL-6、TNF、MARK1 等,调节细胞凋亡、氧化应激、炎症、糖脂代谢过程,从而治疗 DN。体内研究结果表明,AM-AS 复方能显著降低糖尿病大鼠的 FBG 水平,提高 INS 水平,改善肾功能,减少尿蛋白,抑制肾组织糖原沉积、粒细胞浸润和胶原纤维增生,抑制 DN 的进展。体内研究结合网络药理学和分子对接方法,为 DN 的发病机制和治疗提供了新的思路。