烯唑醇与血清蛋白的立体选择性作用机制  

Understanding the Stereoselective Mechanism of Diniconazole Enantiomers Interacting with Serum Albumins

作　　者：陈冉[1] 郭栋[1,2] 何汝坚 殷霞 范军[1] 章伟光[1] CHEN Ran;GUO Dong;HE Rujian;YIN Xia;FAN Jun;ZHANG Weiguang(School of Chemistry, South China Normal University, Guangzhou 510006, China;Guangzhou Research and Creativity Biotechnology Co., Ltd., Guangzhou 510663, China)

机构地区：[1]华南师范大学化学学院,广州510006 [2]广州研创生物技术发展有限公司,广州510663

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Journal of South China Normal University(Natural Science Edition)

基　　金：广东省自然科学基金项目(2018A030313193)。

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 

分 类 号：O657.3[理学—分析化学]