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. 2026 Feb:242:114714.
doi: 10.1016/j.phytochem.2025.114714. Epub 2025 Oct 21.

1H NMR guided isolation of flavans from Broussonetia papyrifera and their α-glucosidase inhibitory activity

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1H NMR guided isolation of flavans from Broussonetia papyrifera and their α-glucosidase inhibitory activity

Tingting Guo et al. Phytochemistry. 2026 Feb.

Abstract

Six undescribed flavans (1-6) and four known analogues (7-10) were isolated from the leaves of Broussonetia papyrifera with the guidance of 1H NMR. Among them, 1 and 2 were characterized as prenylflavan derivatives with hydroxymethyl and ethoxy moiety, respectively. Their structures were established through comprehensive analysis of spectroscopic data, including HRESIMS, 1D and 2D NMR. The absolute configurations were determined by theoretical calculations of electronic circular dichroism. Notably, compounds 5 and 6 exhibited superior α-glucosidase inhibitory activities with IC50 values of 5.87 and 6.26 μM, respectively. Additionally, molecular docking and molecular dynamics simulations were performed using 5 and 6 with IMA1, an α-glucosidase derived from Saccharomyces cerevisiae, to analyze their potential binding sites.

Keywords: (1)H NMR guided isolation; Broussonetia papyrifera (L.) L'Hér. ex Vent.; Flavans; Moraceae; α-glucosidase.

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Conflict of interest statement

Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.

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