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Mechanism of Naoluoxintong in Treatment of Ischemic Stroke:An Analysis Based on Network Pharmacology and Molecular Docking

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Author:
No author available
Journal Title:
Journal of Anhui University of Chinese Medicine
Issue:
1
DOI:
10.3969/j.issn.2095-7246.2024.01.016
Key Word:
脑络欣通;缺血性脑卒中;网络药理学;分子对接;作用机制;Naoluoxintong;Ischemic stroke;Network pharmacology;Molecular docking;Mechanism of action

Abstract: Objective To investigate the mechanism of the Qi-tonifying and blood-activating prescription Naoluoxintong in the treatment of ischemic stroke(IS)based on network pharmacology and molecular docking for preliminary verification.Methods TCMSP,ETCM,chemical databases,and related literature were used to screen for the active components of Naoluox-intong and their action targets,and OMIM,DisGeNET,GeneCards,and Drugbank databases were used to obtain the targets re-lated to IS.The intersecting targets were then imported into STRING platform and Cytoscape 3.8.2 software to construct a protein-protein interaction network,and a topology analysis was performed to obtain the core targets.A traditional Chinese medicine-active component-core target-disease visualized network was also constructed.R software was used to perform GO functional enrichment analysis and KEGG pathway enrichment analysis,and AutoDockTools and PyMOL were used to perform molecular docking and visualization.Results There were 78 potential active components in Naoluoxintong and 200 potential ac-tion targets for the treatment of IS;the core targets included STAT3,JUN,MAPK1,and TP53,and the active components with a marked effect included quercetin,β-sitosterol,kaempferol,and luteolin.The biological function analysis obtained 150 signaling pathways,including the key pathways such as the PI3K-AKT signaling pathway,the HIF-1 signaling pathway,and the FoxO signaling pathway.Molecular docking showed molecular binding sites between the key active components and the core targets,with a relatively strong binding activity.Conclusion The Qi-tonifying and blood-activating prescription Naoluoxintong exerts a therapeutic effect on IS by acting on the pathological links such as oxidative stress,inflammatory response,cell apoptosis,and autophagy through a synergistic role between multiple components and targets.

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