烯唑醇与血清蛋白的立体选择性作用机制

手性药物与血清蛋白的结合通常表现出立体选择性。采用UV-Vis吸收光谱、荧光光谱和分子对接技术研究了R-烯唑醇和S-烯唑醇与人血清蛋白(HSA)/牛血清蛋白(BSA)的结合差异。结果表明:血清蛋白与R-烯唑醇的结合能力强于S-烯唑醇；烯唑醇对血清蛋白的荧光猝灭机制为静态猝灭；R-烯唑醇和S-烯唑醇与HSA相互作用的总能量分别为-26.4 kJ/mol和-23.6 kJ/mol，与BSA的对接能量分别为-27.6 kJ/mol和-23.3 kJ/mol，说明R-烯唑醇与血清蛋白形成的复合物更稳定。研究结果可为后续开展烯唑醇的立体选择性作用机制研究提供依据。

Understanding the Stereoselective Mechanism of Diniconazole Enantiomers Interacting with Serum Albumins

Interactions of chiral pharmaceuticals and serum albumins show enantioselectivity. Herein, UV-Vis absorption spectroscopy, fluorescent spectroscopy, and molecular docking technology were applied in investigation of enantioselective interactions between diniconazole enantiomers and bovine/human serum albumins (BSA/HSA). The results showed that serum albumins possessed stronger binding affinity for R-diniconazole than S-diniconazole; fluorescent quenching of serum albumins induced by diniconazole enantiomers was ascribed to static quenching mechanism; the docking energies between R-diniconazole and S-diniconazole with HSA were -26.4 kJ/mol and -23.6 kJ/mol, and the docking energies with BSA were -27.6 kJ/mol and -23.3 kJ/mol, respectively, which indicates that binding of serum albumin with R-diniconazole was more stable than that with S-enantiomer. Therefore, this study would provide useful information for the stereoselective mechanism of diniconazole in biological system.