| 摘要: |
| 目的：基于网络药理学方法和分子对接技术探讨冬肾丸治疗肾间质纤维化的作用机制。方法：通过TCMSP、HERB获取冬肾丸的药物活性成分，利用SwissTargetPrediction预测活性成分的作用靶点，检索GeneCards、OMIM、DisGeNET数据库获取疾病相关靶点，利用Venny 2.0得到药物与疾病交集靶点，采用STRING数据库构建交集靶点蛋白质-蛋白质相互作用（PPI）网络，利用Cytoscape 3.10.0筛选核心靶点，借助DAVID数据库对核心靶点进行基因本体（GO）功能、京都基因与基因组百科全书（KEGG）通路富集分析。结果：获得冬肾丸药物活性成分250种，作用靶点676个，肾间质纤维化相关靶点2069个，交集靶点240个，核心靶点43个。主要活性成有黄芩苷、4'，5-二羟基黄酮、木犀草定、槲皮素、白玉兰素 B、海风藤酮等，核心靶点包括蛋白激酶B1（AKT1）、表皮生长因子受体（EGFR）、转录激活蛋白3(STAT3)、肿瘤坏死因子（TNF）、胱天蛋白酶3（CASP3）、氨基末端激酶（JUN）、B细胞淋巴瘤2（BCL2）、丝裂原活化蛋白激酶3（MAPK3）等。GO功能主要涉及细胞凋亡、炎症、氧化磷酸化等，KEGG通路主要涉及核因子κB（NF-κB）、钙通道、环磷酸鸟苷-蛋白激酶 G（cGMP-PKG）等。结论：冬肾丸可能通过AKT1、EGFR、STAT3等靶点来调控NF-κB等信号通路而发挥抗炎、抗氧化、调节细胞凋亡、抑制EMT、脂质代谢等药理作用，从而改善肾纤维化。 |
| 关键词: 肾间质纤维化 冬肾丸 作用机制 网络药理学 分子对接技术 |
| DOI： |
|
|
| Mechanism of action of Dongshen Pill in treatment of renal interstitial fibrosis：A study based on network pharmacology and molecular docking |
| LIU Binglong,LIU Xiang,YANG Biying |
| (The First Clinical TCM College of Hunan University of Chinese Medicine，Changsha 410007，Hunan，China) |
| Abstract: |
| Objective：To investigate the mechanism of action of Dongshen Pill in the treatment of renal interstitial fibrosis based on network pharmacology and molecular docking.Methods：TCMSP and HERB were used to obtain the active components of Dongshen Pill，and SwissTargetPrediction was used to predict the action targets of active components.GeneCards，OMIM，and DisGeNET were used to obtain disease targets，and Venny 2.0 was used to obtain the intersecting targets of the drug and the disease.STRING database was used to construct a protein-protein interaction network for the intersecting targets.Cytoscape 3.10.0 was sued to identify core targets，and DAVID database was used to perform the gene ontology (GO) functional enrichment analysis and the Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis of the core targets.Results：A total of 250 active components and 676 action targets were obtained for the drug Dongshen Pill，and 2069 targets were obtained for the disease renal interstitial fibrosis，with 240 intersecting targets and 43 core targets.The main active components included baicalin，4'，5-dihydroxyflavone，luteolinidin，quercetin，magnoloside B，and kadsurenone，and the core targets included AKT1，EGFR，STAT3，TNF，CASP3，JUN，BCL2，and MAPK3.The GO functions mainly involved cell apoptosis，inflammation，and oxidative phosphorylation，and the KEGG pathways mainly involved nuclear factor-kappa B，calcium channel，and cGMP-PKG.Conclusion：Dongshen Pill exerts the pharmacological actions such as anti-inflammation，antioxidation，regulation of cell apoptosis，inhibition of epithelial-mesenchymal transition，and lipid metabolism through the targets including AKT1，EGFR，and STAT3，thereby improving renal fibrosis. |
| Key words: renal interstitial fibrosis Dongshen Pill mechanism of action network pharmacology molecular docking |
