Study on the mechanism of Acorus tatarinowii in the treatment of ischemic stroke based on network pharmacology and molecular docking technology

Objective: Based on the network pharmacology method, the active ingredient gene target network and protein interaction network of Acorus tatarinowii were constructed, and the functions and signaling pathways involved in the obtained gene targets were analyzed, so as to explore the possible mechanism of action of Acorus tatarinowii in the treatment of ischemic stroke. Methods: TCMSP, UniprotKB, Genecards, TTD, OMIM and Drugbank were used to search the main active components of Acorus tatarinowii and the target of Acorus tatarinowii in the treatment of ischemic stroke. The STRING database and Cytoscape3.8.2 software were used to construct the protein-protein interaction network and analyze it to predict the core protein targets of Acorus tatarinowii in the treatment of ischemic stroke. KEGG and GO analysis of key genes were performed using Metascape database to predict possible signaling pathways and biological processes. Results: Four active compounds and 76 corresponding action targets of Acorus tatarinowii was retrieved from TCMSP database. PPI network has 45 core target proteins. KEGG enrichment analysis predicted possible pathways including fluid shear stress, cGMP-PKG signaling pathway, NF-Kappa B signaling pathway, HIF-1 signaling pathway, VEGF signaling pathway, AMPK signaling pathway, etc. GO enrichment analysis of possible biological processes included circulatory system processes, reactive oxygen metabolism, responses to oxygen levels, endothelial cell migration, and exogenous apoptotic signaling pathways. Molecular docking results showed that kaempferol could stably bind to MAPK8, VCAM1, ICAM1, HMOX1 and PPARG, and 8-isopentenylkaempferol could stably bind to PPARG, MAPK14 and ESR1.Conclusions: This study found that Acorus tatarinowii may play a therapeutic role in the treatment of ischemic stroke from anti-inflammatory, anti-oxidation, promoting new angiogenesis and other aspects, providing a new idea and theoretical basis for the clinical application and clinical drug research and development of Acorus tatarinowii