ArticleJournal of computer-aided molecular design2026
Discovery of potent thymidine phosphorylase inhibitors from Euphorbia pulcherrima Willd. ex Klotzsch with experimental validation and computational analysis.
Article in Journal of computer-aided molecular design, 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
The Euphorbiaceae family Euphorbia pulcherrima is well known for its anticancer properties. The research examines the roles of two flavonoids found in E. pulcherrima in the inhibition of thymidine phosphorylase (TP), an enzyme in cancer development, metastasis, and chemotherapy resistance. This study was designed to evaluate the in vitro TP inhibitory activity of two flavonoids isolated from E. pulcherrima and to investigate their potential binding modes and interactions with TP using molecular docking analysis. In the current studies, the chemical constituents of E. pulcherrima were isolated and characterized. Both of the constituents were flavonoids, namely-5,7,8,3',4'-pentahydroxy-3-methoxyflavone (Flavonoid 1) and kaempferol-3-β-D-glucopyranosyl (Flavonoid 2). Both of the flavonoids were evaluated spectrophotometrically for TP inhibitory activity as compared to the 7-deazaxanthine, and the IC
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