Abstract:

Objective To discuss the potential mechanism of Panax quinquefolium triolsaponins （PQTS） in the occurrence and development of ischemic stroke by using network pharmacology and molecular docking technique. Methods The potential targets of PQTS acing on IS were obtained through Swiss Target Prediction Database， Encyclopedia of Traditional Chinese Medicine（ETCM） Database， SEA Search Server Database， DisGeNET Database， and so on； the protein-protein interaction （PPI） network diagram of the key potential targets was established by STRING Database and Cytoscape 3.9.1 software；the core tagets of PQTS acting on IS were got by topology network analysis； Gene Ontology （GO） function and Kyoto Encyclopedia of Genes and Genomes （KEGG） signaling pathway enrichment analysis were used to analyze the potential targets through DAVID online analysis website； the PQTS-target-signaling pathway network was constructed by Cytoscape 3.9.1 software and the topology network analysis was used to obtain the potential main active compositions； AutoDock Vina software was used to verify the molecular docking between the active ingredients and core targets. Results There were 122 potential targets of PQTS acting on IS； the GO function enrichment analysis was mainly included the regulation of apoptosis， intracellular signal transduction process， and regulations of extracellular substances by cells； the KEGG function analysis included the interleukins signaling pathways， phosphatidylinositol 3 kinase/protein kinase B （PI3K/Akt） signaling pathway and phosphatidylinositol 3 kinase-protein kinase B-mammalian target of rapamycin （PI3K-Akt-mTOR） signaling pathway. The molecular docking analysis results showed that pseudo-ginsenoside F11， 20（S）-protopanaxatriol， ginsenoside Rg1， ginsenoside Rh1， pseudo-ginsenoside RT5， and ginsenoside Re could form the stable conformations with signal transducer and activator of transcription 3（STAT3），phosphatidylinositol 3-kinases catalytic suburit α（PIK3CA），epidermal growth factor receptor （EGFR）， and mitogen-activated protein kinase 14（MAPK14） with lower binding energy. Conclusion The protective effect of PQTS on IS may be related to the STAT3， PIK3CA， EGFR， MAPK14， and PI3K/Akt signaling pathways.

Key words: Panax quinquefolium triolsaponins, Ischemic stroke, Network pharmacology, Molecular docking, Phosphatidylinositol 3-kinase, Protein kinase B, Signaling pathway