Debia Natalí P, Da Luz Lilian C, de Araújo Bruno B, Gonçalves Paulo F B, Rodembusch Fabiano S, Lüdtke Diogo S
Instituto de Química, Universidade Federal do Rio Grande do Sul-UFRGS, Av. Bento Gonçalves 9500, 91501-970 Porto Alegre, Rio Grande do Sul, Brazil.
JACS Au. 2025 Jan 9;5(1):353-362. doi: 10.1021/jacsau.4c01131. eCollection 2025 Jan 27.
Understanding the mechanism of drug action in biological systems is facilitated by the interactions between small molecules and target chiral biomolecules. In this context, focusing on the enantiomeric recognition of carbohydrates in solution through steady-state fluorescence emission spectroscopy is noteworthy. To this end, we have developed a third generation of chiral optical sensors for carbohydrates, distinct from all of those previously presented, which interact with carbohydrates to form non-covalent probe-analyte interactions. The proposed sensor is based on 2-oxazolines bearing a fluorophoric benzothiazole unit. We evaluated their photophysical properties in the presence of enantiomeric pairs of arabinose, mannose, xylose, and glucose in solution. Our primary findings indicate that the compounds outlined in this study were able to distinguish between enantiomeric pairs in solution, demonstrating good to excellent enantioselectivity through simple intermolecular interactions. To achieve the best enantioselectivity results, theoretical calculations were performed to better understand the observed interactions between the sensors and the analytes.
小分子与目标手性生物分子之间的相互作用有助于理解药物在生物系统中的作用机制。在此背景下,通过稳态荧光发射光谱法聚焦于溶液中碳水化合物的对映体识别值得关注。为此,我们开发了第三代用于碳水化合物的手性光学传感器,与之前所有的传感器不同,它与碳水化合物相互作用形成非共价探针 - 分析物相互作用。所提出的传感器基于带有荧光苯并噻唑单元的2 - 恶唑啉。我们在溶液中存在阿拉伯糖、甘露糖、木糖和葡萄糖的对映体对的情况下评估了它们的光物理性质。我们的主要发现表明,本研究中概述的化合物能够区分溶液中的对映体对,通过简单的分子间相互作用表现出良好到优异的对映选择性。为了获得最佳的对映选择性结果,进行了理论计算以更好地理解传感器与分析物之间观察到的相互作用。