New eudesmanolides from Artemisia verlotorum and their potential targets of hepatocellular carcinoma by network pharmacology.

Fractionation of the ethanol extract of Artemisia verlotorum led to the identification of eight undescribed eudesmane-type sesquiterpenoids, artemverlolides A-H (1 – 8). Their structures were determined by spectral analyses (HRESIMS, 1D and 2D NMR, IR, and ECD). Network pharmacology predicted that compounds 1 – 8 might be target on AURKA, CCNA2, CYP2C19, and EPHX2 with possibly antihepatoma effect from Swiss TargetPrediction and Gene Expression Omnibus database. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) analyses showed that the targets significantly enriched in FoxO signaling pathway. The molecular docking suggested that compound 8 had high binding affinity with AURKA. Furthermore, the interaction between compound 8 and AURKA was determined by Surface Plasmon Resonance (SPR) assay. The result suggested that compound 8 bound to AURKA with KD value of 68.0 μM and was consistent with the predicted data, demonstrating that AURKA might be one of acting targets of 8. [Display omitted] • Eight undescribed eudesmane-type sesquiterpenoids were isolated from Artemisia verlotorum. • Network pharmacology demonstrated AURKA, CCNA2, CYP2C19, and EPHX2 were potential targets. • GO and KEGG analysis showed these targets were enriched in FoxO signaling pathway. • Molecular docking suggested these targets and compounds had the potential binding affinity. • SPR assay demonstrated that compound 8 bound to AURKA with KD value of 68.0 μM. [ABSTRACT FROM AUTHOR]