陈冉, 郭栋, 何汝坚, 殷霞, 范军, 章伟光. 烯唑醇与血清蛋白的立体选择性作用机制[J]. 华南师范大学学报(自然科学版), 2022, 54(2): 30-36. doi: 10.6054/j.jscnun.2022023
引用本文: 陈冉, 郭栋, 何汝坚, 殷霞, 范军, 章伟光. 烯唑醇与血清蛋白的立体选择性作用机制[J]. 华南师范大学学报(自然科学版), 2022, 54(2): 30-36. doi: 10.6054/j.jscnun.2022023
CHEN Ran, GUO Dong, HE Rujian, YIN Xia, FAN Jun, ZHANG Weiguang. Understanding the Stereoselective Mechanism of Diniconazole Enantiomers Interacting with Serum Albumins[J]. Journal of South China Normal University (Natural Science Edition), 2022, 54(2): 30-36. doi: 10.6054/j.jscnun.2022023
Citation: CHEN Ran, GUO Dong, HE Rujian, YIN Xia, FAN Jun, ZHANG Weiguang. Understanding the Stereoselective Mechanism of Diniconazole Enantiomers Interacting with Serum Albumins[J]. Journal of South China Normal University (Natural Science Edition), 2022, 54(2): 30-36. doi: 10.6054/j.jscnun.2022023

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

  • 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。

     

    Abstract: 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.

     

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