Mechanism of astragaloside promoting angiogenesis based on network pharmacology and molecular docking
ZHANG Xing -zhou,WEI Ming,LIU Wei -jun
Gastrointestinal Surgery, Tianjin Nankai Hospital, Tianjin (300100), China
Abstract:
Objective To investigate the mechanism of astragaloside promoting angiogenesis using network pharmacology and molecular docking. Methods The targets associated with astragaloside were identified using the SwissTarget Prediction and GeneCards databases. Targets related to angiogenesis were screened using the GeneCards database. The key targets of astragaloside in promoting angiogenesis were determined through Venn diagram analysis of the intersection genes. The Protein-Protein Interaction (PPI) network of the intersected genes was constructed using the String database. The data was imported into Cytoscape 3.10.1 software to construct the PPI network and identify key genes. Gene Ontology (GO) enrichment analysis of target genes was performed using the DAVID database and Weisheng. AutoDock vina software was used for molecular docking, and Pymol software was used for visualization of receptors and ligands. Results 93 targets were identified for astragaloside, while 803 targets were related to angiogenesis. 10 key targets were selected from the PPI network, including IL6, AKT1,MMP9, STAT3, TGFB1, CTNNB1, HIF1A, BCL2, GSK3B and IL1B. Enrichment analysis revealed the involvement of these targets in various signaling pathways, demonstrating the strong binding affinity between astragaloside and the aforementioned targets. Molecular docking showed astragaloside had good binding performance with the above targets, and the docking energy with AKT1, GSK3B, HIF1A and MMP9 was less than-8 kcal/mol, and it was bonded by hydrogen bond. Conclusion Astragaloside exhibits a potential role in promoting blood vessel formation by binding to multiple targets and regulating associated signaling pathways.
