作　　者： ; (郭栋）; (殷霞）; (范军）; (章伟光）;

机构地区： 华南师范大学

出　　处： 《华南师范大学学报（自然科学版）》 2022年第2期30-36,共7页

摘　　要： 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。 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.

关 键 词： 烯唑醇 血清蛋白 分子对接 荧光光谱 立体选择性作用机制

领　　域： [理学—分析化学] [理学—化学]