基于网络药理学和分子对接技术探讨肾气丸治疗2型糖尿病的作用机制
Investigation of the mechanism of Shen Qi Wan prescription in the treatment of T2DM via network pharmacology and molecular docking.
作者信息
Zhao Piaopiao, Zhang Xiaoxiao, Gong Yuning, Li Weihua, Wu Zengrui, Tang Yun, Liu Guixia
机构信息
Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology, 200237 Shanghai, China.
出版信息
In Silico Pharmacol. 2022 Jun 4;10(1):9. doi: 10.1007/s40203-022-00124-2. eCollection 2022.
UNLABELLED
Shen Qi Wan (SQW) prescription has been used to treat type 2 diabetes mellitus (T2DM) for thousands of years, but its pharmacological mechanism is still unclear. The network pharmacology method was used to reveal the potential pharmacological mechanism of SQW in the treatment of T2DM in this study. Nine core targets were identified through protein-protein interaction (PPI) network analysis and KEGG pathway enrichment analysis, which were AKT1, INSR, SLC2A1, EGFR, PPARG, PPARA, GCK, NOS3, and PTPN1. Besides, this study found that SQW treated the T2DM through insulin resistance (has04931), insulin signaling pathway (has04910), adipocytokine signaling pathway (has04920), AMPK signaling pathway (has04152) and FoxO signaling pathway (has04068) via ingredient-hub target-pathway network analysis. Finally, molecular docking was used to verify the drug-target interaction network in this research. This study provides a certain explanation for treating T2DM by SQW prescription, and provides a certain angle and method for researchers to study the mechanism of TCM in the treatment of complex diseases.
SUPPLEMENTARY INFORMATION
The online version contains supplementary material available at 10.1007/s40203-022-00124-2.
未标注
参芪丸（SQW）方剂用于治疗2型糖尿病（T2DM）已有数千年历史，但其药理机制仍不清楚。本研究采用网络药理学方法揭示参芪丸治疗T2DM的潜在药理机制。通过蛋白质-蛋白质相互作用（PPI）网络分析和KEGG通路富集分析确定了9个核心靶点，分别为AKT1、INSR、SLC2A1、EGFR、PPARG、PPARA、GCK、NOS3和PTPN1。此外，本研究通过成分-枢纽靶点-通路网络分析发现，参芪丸通过胰岛素抵抗（has04931）、胰岛素信号通路（has04910）、脂肪细胞因子信号通路（has04920）、AMPK信号通路（has04152）和FoxO信号通路（has04068）治疗T2DM。最后，本研究采用分子对接验证药物-靶点相互作用网络。本研究为参芪丸方剂治疗T2DM提供了一定的解释，为研究人员研究中药治疗复杂疾病的机制提供了一定的角度和方法。
补充信息
在线版本包含可在10.1007/s40203-022-00124-2获取的补充材料。
Zotero 插件