ArticleBiomolecules & therapeutics2024
Unraveling Stereochemical Structure-Activity Relationships of Sesquiterpene Lactones for Inhibitory Effects on STAT3 Activation.
Article in Biomolecules & therapeutics, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
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Who cites it
6 citing papers in PubMed.
- Antimycobacterial and Nitric Oxide Production Inhibitory Activities of Goyazensolide and Centratherin Isolated From Eremanthus crotonoides by High-Speed Countercurrent Chromatography.Chemistry & biodiversity · 2026Article
- Integrated Network Pharmacology and Molecular Dynamics Reveal Multi-Target Anticancer Mechanisms ofPharmaceuticals (Basel, Switzerland) · 2025Article
- The Antiproliferative Activity of Tatridin A Against Prostate Cancer Cells Is Lost in Acid Medium by Transformation to Desacetyl-β-Cyclopyrethrosin.Journal of xenobiotics · 2025Article
- Natural sesquiterpene lactones in prostate cancer therapy: mechanisms and sources.Medical oncology (Northwood, London, England) · 2025Review
- Erioflorin and Erioflorin Acetate Induce Cell Death in Advanced Prostate Cancer Through ROS Increase and NF-κB Inhibition.Journal of xenobiotics · 2025Article
- Isoalantolactone: a review on its pharmacological effects.Frontiers in pharmacology · 2024Review
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Authors and funding
6 authors.
Funding
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Abstract
Sesquiterpene lactones, a class of natural compounds abundant in the Asteraceae family, have gained attention owing to their diverse biological activities, and particularly their anti-proliferative effects on human cancer cells. In this study, we systematically investigated the structure-activity relationship of ten sesquiterpene lactones with the aim of elucidating the structural determinants for the STAT3 inhibition governing their anti-proliferative effects. Our findings revealed a significant correlation between the STAT3 inhibitory activity and the anti-proliferative effects of sesquiterpene lactones in MDA-MB-231 breast cancer cell lines. Among the compounds tested, alantolactone and isoalantolactone emerged as the most potent STAT3 inhibitors, highlighting their potential as candidates for anticancer drug development. Through protein-ligand docking studies, we revealed the structural basis of STAT3 inhibition by sesquiterpene lactones, emphasizing the critical role of hydrogen-bonding interactions with key residues, including Arg609, Ser611, Glu612, and Ser613, in the SH2 domain of STAT3. Furthermore, our conformational analysis revealed the decisive role of the torsion angle within the geometry-optimized structures of sesquiterpene lactones in their STAT3 inhibitory activity (
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