Keywords
Molecular docking
Lianqiao-4
Nephrotoxicity
Submitted : 2025-05-05
Accepted : 2025-05-20
Published : 2025-06-04
Abstract
Objective: To predict the nephrotoxicity mechanism of Lianqiao-4 through network pharmacology and molecular docking methods. Methods: The main chemical components of Lianqiao (Forsythia suspensa), Bistortae rhizoma, Ophiopogonis radix, and Clematidis radix et rhizoma, as well as nephrotoxicity-related targets, were screened through databases such as TCMSP, Swiss Target Prediction, GeneCards, and ETCM. Venny 2.1.0 was used to identify the main components of Lianqiao-4 and nephrotoxicity targets. The STRING platform and David database were utilized to construct a protein-protein interaction (PPI) network diagram, while gene function (GO) enrichment analysis and KEGG pathway analysis were conducted. The “Lianqiao-4 active ingredients-nephrotoxicity targets-signaling pathways” network model was constructed using Cytoscape 3.9.1 software. Results: Network pharmacology and molecular docking analysis revealed that the core active ingredients responsible for the nephrotoxicity mechanism of Mongolian medicine Lianqiao-4 include steroidal saponins such as ophiopogonin A, flavonoids like kaempferol and quercetin, steroidal compounds such as β-sitosterol and sitosterol, and other key regulatory targets including STAT3, ABCG2, HSP90AA1, MMP9, PTGS2, and EGFR. Major pathways involved include lipid and atherosclerosis, chemical carcinogenesis - DNA adducts, and arachidonic acid metabolism. Conclusion: Mongolian medicine Lianqiao-4 exerts its therapeutic effect on nephrotoxicity through multiple components, targets, and pathways, pending experimental verification.
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