<p>Theophylline, a major bioactive alkaloid in tea, enhances beverage sensory complexity but imparts excessive bitterness at high concentrations. This study aimed to evaluate the potential of aptamers in mitigating the bitterness of theophylline and to elucidate the underlying interaction mechanisms. Electronic tongue analysis showed that treatment with 10-µM aptamer reduced the bitterness intensity of theophylline by approximately 20%. Spectroscopic techniques, including UV–Vis, fluorescence, and circular dichroism, confirmed the binding interaction between the aptamer and theophylline, accompanied by conformational changes in the aptamer structure. Molecular docking and molecular dynamics simulations further revealed the binding mechanism, identifying bases T17, A18, G25, and G26 as key interaction sites. These findings suggest that aptamers offer a promising strategy for bitterness modulation in tea, providing a novel approach for the development of low-bitterness tea products.</p>

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Investigating the Mechanism of Bitterness Masking in Theophylline via Aptamer Binding

  • Siyue Yang,
  • Zijun Liu,
  • Jiaxin Zhang,
  • Rania Mohamed,
  • Paola Pittia,
  • Liyong Luo,
  • Liang Zeng,
  • Wei Luo

摘要

Theophylline, a major bioactive alkaloid in tea, enhances beverage sensory complexity but imparts excessive bitterness at high concentrations. This study aimed to evaluate the potential of aptamers in mitigating the bitterness of theophylline and to elucidate the underlying interaction mechanisms. Electronic tongue analysis showed that treatment with 10-µM aptamer reduced the bitterness intensity of theophylline by approximately 20%. Spectroscopic techniques, including UV–Vis, fluorescence, and circular dichroism, confirmed the binding interaction between the aptamer and theophylline, accompanied by conformational changes in the aptamer structure. Molecular docking and molecular dynamics simulations further revealed the binding mechanism, identifying bases T17, A18, G25, and G26 as key interaction sites. These findings suggest that aptamers offer a promising strategy for bitterness modulation in tea, providing a novel approach for the development of low-bitterness tea products.