|
| Mechanism and pathway of Fangji Huangqi Decoction in the treatment of nephritic edema based on network pharmacology and molecular docking |
| Hits 732 Download times 379 Received:October 28, 2021 |
| View Full Text View/Add Comment Download reader |
| DOI
10.11656/j.issn.1672-1519.2022.02.25 |
| Key Words
Fangji Huangqi Decoction;nephritic edema;network pharmacology;molecular docking |
| Author Name | Affiliation | E-mail | | YUAN Xin | Zhangjiajie Hospital of Traditional Chinese Medicine, Zhangjiajie 427000, China | | | ZHANG Lin | Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China | | | OU Xiangqin | The First Teaching Hospital of Guizhou University of Traditional Chinse Medicine, Guizhou 550001, China | | | WANG Xihong | First Teaching Hospital of Tianjin University of Traditional Chinese Medicine, Tianjin 300193, China | | | TANG Ge | First Teaching Hospital of Tianjin University of Traditional Chinese Medicine, Tianjin 300193, China | tgchina@sohu.com | | LIANG Feng | School of Chinese Medicine, Hong Kong Baptist University, Hong Kong 999077, China | |
|
| Abstract
|
| [Objective] To explore the potential mechanism of Fangji Huangqi Decoction in the treatment of nephritic edema by network pharmacology and verify it with molecular docking technology.[Methods] Based on the traditional Chinese medicine database system pharmacology (TCMSP) to screen out the effective targets of Fangji Huangqi Decoction. With the Uniprot, Swiss target prediction database for the studies of Fangji Huangqi Decoction targets, according to the Gene Card and OMIM database, we search potential access for nephritis edema. Then the disease-drug protein in intersection were upload for String for protein interaction network. The Go and KEGG enrichment analysis were performed with Cluster profile and Pathview biological package of R4.0.0 software. Finally, molecular docking was performed with Antocks Vina to verify the feasibility results.[Results] There were 39 genes of intersection between Fangji Huangqi Decoction and nephritic edema. According to the protein interaction network analysis, Fangji Huangqi Decoction may act on interleukin 6 (IL-6), tumor necrosis factor (TNF), vascular endothelial growth factor (VEGFA), adenylate kinase enzyme 1 (ATK1), interleukin 10 (IL-10) and other related proteins in the treatment of nephritic edema. The KEGG enrichment analysis found that the treatment of nephritic edema by Fangji Huangqi Decoction may be associated with AGE-RAGE signaling pathway, Malaria signaling pathway, TNF signaling pathway, Fluid shear stress and atherosclerosis signaling pathway and HIF-1 signaling pathway. The results showed that the ligand structure of kaempferol and TNF-α transferase (TACE) inhibitors 3EWJ and 3E8R were similar. The molecular binding energies of kaempferol were -9.3 (KJ/mol) and -9.5 (KJ/mol) respectively, and kaempferol could bind to the receptor freely.[Conclusion] Quercetin, kaempferol and isorhamnetin, the main components of Fangji Huangqi Decoction, may regulate TNF and AGE-RAGE signaling pathway to treat nephritic edema. |
|
|
|
|
|
|
|
