ObjectiveOur study aimed to investigate the underlying molecular mechanisms of selin-11-en-4α-ol purified from Artemisia vulgaris against anti-inflammation through network pharmacology, molecular docking, and in vitro experiments.MethodsPotential targets for selin-11-en-4α-ol and inflammation were obtained using Swiss Target Prediction, Pharm Mapper, and GeneCards databases. Venn diagrams were used to obtain the targets of selin-11-en-4α-ol for the treatment of inflammation, and the intersecting targets were uploaded to the STRING database to construct a protein–protein interaction (PPI) network of selin-11-en-4α-ol anti-inflammatory target proteins for further screening of the core targets. The Gene Ontology and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses were conducted using the DAVID database. In addition, molecular docking validation of core target binding to selin-11-en-4α-ol was performed. The anti-inflammatory effects were verified by in vitro experiments of lipopolysaccharide-induced RAW264.7 cells.ResultsPPI network analysis showed that mitogen-activated protein kinase 14 (MAPK14), SRC, and HSP90AA1 were predicted as potential anti-inflammatory targets, and KEGG enrichment analysis revealed that the MAPK signaling pathway presented the highest gene enrichment counts. Molecular docking and western blot results suggested that selin-11-en-4α-ol regulated MAPK and nuclear transcription factor-κB (NF-κB) signaling pathways to alleviate inflammation. In addition, selin-11-en-4α-ol inhibited the production of inflammatory factors, chemokines, and reactive oxygen species and exhibited anti-inflammatory and antioxidant effects.ConclusionSelin-11-en-4α-ol treats inflammation by targeting the MAPK and NF-κB signaling pathway, demonstrating that network pharmacology and molecular docking are effective tools for studying traditional Chinese medicine and providing a theoretical basis for developing anti-inflammatory drugs.
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