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<p>This study enhances our comprehension of the molecular composition associated with the detection of sweet taste-by-taste cells TAS1R2/TAS1R3. We apply a recommended adsorption technique and an analytical approach to offer a microscopic insight that elucidates the molecular mechanisms associated with the taste perception of four sweet compounds and the inhibitory impact of lactisole on these compounds. It predicts the total number of molecules associated with each binding site, the quantity of anchors, receptor levels, semi-saturation rates, and adsorption energies. The model’s physicochemical properties enable the assessment of energetic interactions among the four molecules and the TAS1R2/TAS1R3 receptor locations. Additionally, we identified the flavor spectrum by evaluating binding energy values, adhesion energy spectrum (AES), and cavity size spectrum (CSS). This study introduces an innovative method for identifying the flavor spectrum by employing the most suitable model to account for both fixed and fluctuating flavor sensitivities. In the end, the docking analysis featuring four sweet molecules and the taste receptor sites (TAS1R2/TAS1R3) is conducted, highlighting a notable similarity in the mechanism of receptor-ligand complex recognition. As a result, the findings from the docking analysis support the claim that the observed association represent values within the typical retention energy range.</p>

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Investigation of the Effects of Lactisole on the Flavor Perception of Sweet Compounds by Human Taste Receptors TAS1R2/TAS1R3: Molecular Docking and Steric/Energetic Evaluations

  • 期刊论文

  • 发表日期：

    2026年1月2日

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  • Rim Salhi,
  • Mohamed Bouzid,
  • Amin Naifar,
  • Yosra Ben Torkia,
  • Abdelmottaleb Ben Lamine

摘要

This study enhances our comprehension of the molecular composition associated with the detection of sweet taste-by-taste cells TAS1R2/TAS1R3. We apply a recommended adsorption technique and an analytical approach to offer a microscopic insight that elucidates the molecular mechanisms associated with the taste perception of four sweet compounds and the inhibitory impact of lactisole on these compounds. It predicts the total number of molecules associated with each binding site, the quantity of anchors, receptor levels, semi-saturation rates, and adsorption energies. The model’s physicochemical properties enable the assessment of energetic interactions among the four molecules and the TAS1R2/TAS1R3 receptor locations. Additionally, we identified the flavor spectrum by evaluating binding energy values, adhesion energy spectrum (AES), and cavity size spectrum (CSS). This study introduces an innovative method for identifying the flavor spectrum by employing the most suitable model to account for both fixed and fluctuating flavor sensitivities. In the end, the docking analysis featuring four sweet molecules and the taste receptor sites (TAS1R2/TAS1R3) is conducted, highlighting a notable similarity in the mechanism of receptor-ligand complex recognition. As a result, the findings from the docking analysis support the claim that the observed association represent values within the typical retention energy range.