Journal of Jilin University(Medicine Edition) ›› 2022, Vol. 48 ›› Issue (6): 1518-1527.doi: 10.13481/j.1671-587X.20220618

• Research in clinical medicine • Previous Articles     Next Articles

Analysis on network pharmacology and molecular docking technique based on mechanism of Shenqi Dihuang Decoction in treatment of membranous nephropathy

Shaojie FU,Sensen SU,Yiying CHEN,Zhonggao XU()   

  1. Department of Nephrology,First Hospital,Jilin University,Changchun 130021,China
  • Received:2022-01-11 Online:2022-11-28 Published:2022-12-07
  • Contact: Zhonggao XU E-mail:zhonggao@jlu.edu.cn

Abstract:

Objective To analyze the effect of Shenqi Dihuang Decoction in the treatment of membranous nephropathy (MN) based on network pharmacology method and molecular docking technique,and to clarify its mechanism. Methods The effective components and corresponding target proteins of 7 herbs of Shenqi Dihuang Decoction were screened by Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP);the target genes of MN were collected from the GeneCards database,OMIM database, and Drugbank database; the network of “components-compounds-targes” of Shenqi Dihuang Decoction was constructed by Cytoscape software; the protein-protein interaction network was constructed through STRING database and Cytoscape software, and the topological analysis was performed to identify the core targets; the molecular docking for the core targets with the active ingredients acting on them was performed to screen the core components of Shenqi Dihuang Decoction for the treatment of MN.Gene Ontology (GO) enrichment analysis and Kyoto Encyclopedia of Gene and Genomes (KEGG) pathway enrichment analysis were performed by Bioconductor R software. Results A total of 55 effective components,214 drug action targets,3 655 MN targets, and 144 intersection targets were obtained,including 5 core targets,which were protein kinase B1 (AKT1), epidermal growth factor (EGF), vascular endothelial growth factor A (VEGFA), tumor protein P53 (TP53), and epidermal growth factor receptor (EGFR); three potential core components were screened based on the molecular docking technology, including quercetin, luteolin, and diosgenin;the GO enrichment analysis results revealed 2 268 biological processes, 53 cell compositions,and 175 molecular functions; the KEGG pathway enrichment analysis results revealed 169 related signal pathways. Conclusion Shenqi Dihuang Decoction may play a role in treatment of MN by reducing the level of inflammation, inhibiting the renal fibrosis and maintaining the integrity of glomerular filtration barrier.

Key words: Shenqi Dihuang Decoction, Membranous nephropathy, Network pharmacology, Molecular docking simulation, Pharmacology of traditional Chinese medicine

CLC Number: 

  • R692