ArticleArchives of pharmacal research2026
DeepSAT-guided discovery of sesquiterpenoid dimers from Inula japonica and identification of a natural pyroptosis inducer targeting the ROS-caspase-3-GSDME pathway.
Article in Archives of pharmacal research, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Sesquiterpenoid dimers (SDs) from the genus Inula are well recognized for their structural diversity and antitumor potential. However, their ability to induce pyroptosis remains unexplored. In this work, DeepSAT-guided HSQC analysis was employed for the phytochemical investigation of I. japonica, leading to the isolation and characterization of 21 SDs, including 18 new compounds belonging to three skeleton classes. Among them, neoinujaponolide A (1) possesses an unprecedented 6/7/5 tricyclic skeleton, representing a structurally distinctive guaianolide-guaianolide dimer fused through C-2/C-2' and C-4/C-3' single bonds. While compound 1 represents the major structural novelty of this study, biological screening identified compound 17 as the most potent cytotoxic compound among the tested isolates; therefore, it was selected for further mechanistic investigation. Preliminary structure-activity relationship analysis suggested that the α,β-unsaturated lactone moiety, the Δ
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