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<p>To understand the chemical markers and their xanthine oxidase (XO) inhibitory activities in the pulp, shreds and inflorescence axis of <i>A. heterophyllus</i>, an investigation guided by UHPLC-OE-MS tracking, in vitro activity screening and molecular docking was carried out. The inflorescence axis exhibited an XO inhibition rate of 31.87%, significantly higher than that of the pulp (6.69%) and shreds (3.75%), which was closely associated with its abundant content of flavonoids. Further analysis identified flavonoids such as luteolin (<b>Fl2</b>), kaempferol (<b>Fl3</b>), quercitrin (<b>Fl4</b>) and 8-prenylluteone (<b>Fl16</b>) serve as potential contributors to the XO inhibitory activity. Molecular docking with XO revealed binding energies below − 5.0&#xa0;kcal/mol for above compounds. 8-Prenylluteone (<b>Fl16</b>) showed the strongest interaction, with the lowest binding energy of -8.8&#xa0;kcal/mol, suggesting its enhanced activity was attributed to the isopentenyl side chain attached to the flavonoid skeleton. This study provided a new perspective for discovering XO inhibitors from <i>A. heterophyllus</i> by-products.</p>

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Chemical markers of pulp, shreds and inflorescence axis of Artocarpus heterophyllus Lam. and their xanthine oxidase inhibitory activity

  • 期刊论文

  • 发表日期：

    2026年6月29日

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  • Yu Wang,
  • Yueping Wang,
  • Wenli Zhao,
  • Yan Li,
  • Qipeng Zhang,
  • Wenjuan Liang

摘要

To understand the chemical markers and their xanthine oxidase (XO) inhibitory activities in the pulp, shreds and inflorescence axis of A. heterophyllus, an investigation guided by UHPLC-OE-MS tracking, in vitro activity screening and molecular docking was carried out. The inflorescence axis exhibited an XO inhibition rate of 31.87%, significantly higher than that of the pulp (6.69%) and shreds (3.75%), which was closely associated with its abundant content of flavonoids. Further analysis identified flavonoids such as luteolin (Fl2), kaempferol (Fl3), quercitrin (Fl4) and 8-prenylluteone (Fl16) serve as potential contributors to the XO inhibitory activity. Molecular docking with XO revealed binding energies below − 5.0 kcal/mol for above compounds. 8-Prenylluteone (Fl16) showed the strongest interaction, with the lowest binding energy of -8.8 kcal/mol, suggesting its enhanced activity was attributed to the isopentenyl side chain attached to the flavonoid skeleton. This study provided a new perspective for discovering XO inhibitors from A. heterophyllus by-products.