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Analysis on the Anti-inflammatory Mechanism of Loranthus Parasiticus Based on Network Pharmacology and Molecular Docking Technology
XIONG Hui, LI Zhe, YU Yong-zhou, HONG Xia, LI Na
Abstract115)      PDF (8545KB)(5)      
Objective To explore the anti-inflammatory mechanism of loranthus parasiticus based on network pharmacology and molecular docking technology. Methods Active components and targets of loranthus parasiticus were gathered by TCMSP database and screened inflammatory targets by GeneCards, TTD and OMIM database. A “compound-target-disease” network was constructed with Cytoscape3.7.1. Protein interaction networks were mapped using String database and Clusterprofiler R Package was applied to enrich gene ontology GO and KEGG pathways of loranthus parasiticus intervention in inflammation. Molecular docking verification was carried out in AutoDockTools and AutoDockVina, and the results were visualized by PyMOL software. Results Forty-six active components and 418 potential targets of loranthus parasiticus, 696 targets of inflammation and 71 common targets of loranthus parasiticus and inflammation were collected. GO enrichment analysis and KEGG pathway enrichment analysis screened out 1703 items and 139 signaling pathways (P<0.05), mainly involving lipid and atherosclerosis, AGE-RAGE signaling pathway, TNF-α, IL-17 signaling pathway, Toll-like receptor signaling pathway, etc. The molecular docking results showed that quercetin had the strongest binding ability to AKT1. Conclusion Loranthus parasiticus may regulate multiple signaling pathways including IL-6, IL-1β, RelA, MAPK1 and AKT1 through quercetin, oleanolic acid and guajavarin to exert anti-inflammatory effects, providing reference for future studies.
2023, 40 (1): 5-7.