3rd International Conference on Chemo and BioInformatics, Kragujevac, September 25-26, 2025. (pp. 31-34)
АУТОР(И) / AUTHOR(S): Xiaofei Liu, Xing Wang, Yang Ye
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DOI: 10.46793/ICCBIKG25.031L
САЖЕТАК / ABSTRACT:
Natural products remain a privileged source of new therapeutics, yet their clinical translation hinges on precise structural and stereochemical assignment. Here, we describe our ongoing investigation of Artemisia hedinii, an annual herb long used in Chinese folk medicine for detoxification and inflammation relief. Phytochemical re-investigation of A. hedinii has now delivered a total of 107 sesquiterpenoids, comprising 81 previously undescribed metabolites. Among these, six unprecedented carbon skeletons were identified. Unambiguous determination of absolute configuration was achieved by an integrated strategy: high-resolution MS, 1D and 2D- NMR spectra, single-crystal X-ray diffraction, TDDFT ECD calculations, DFT NMR chemical-shift fitting, and biomimetic total syntheses that delivered all new-skeleton prototypes as single enantiomers. Biological evaluation revealed potent anti-hepatic-fibrosis activity in human LX-2 hepatic stellate cells, with some compounds significantly suppressing α-SMA expression. Concurrent assays in LPS-stimulated RAW264.7 macrophages and bone-marrow-derived macrophages (BMDM) demonstrated dose-dependent inhibition of NO, IL-6 and TNF-α release, underscoring broad anti-inflammatory potential. Collectively, these findings expand the chemical space of the Artemisia chemodiversity atlas and establish A. hedinii as a prolific reservoir of architecturally novel, bioactive sesquiterpenoids for drug discovery against inflammation and fibrosis.
КЉУЧНЕ РЕЧИ / KEYWORDS:
Artemisia hedinii, Sesquiterpenoid, Chemodiversity
ПРОЈЕКАТ / ACKNOWLEDGEMENT:
This research is funded by the National Key R&D Program of China (2018YFC1707000, 2022YFE0203600), the National Science and Technology Major Project (2019ZX09201004-003-042), and the National Natural Science Foundation of China (21920102003, 81903485).
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