FNC与人类血红蛋白相互作用的研究：光谱分析与分子对接
Studies of the interaction between FNC and human hemoglobin: a spectroscopic analysis and molecular docking.
作者信息
Li Huiyi, Dou Huanjing, Zhang Yuhai, Li Zhigang, Wang Ruiyong, Chang Junbiao
机构信息
Chinese Pharmacopeia Commission, Beijing 100061, China; College of Chemistry and Molecular Engineering, Zhengzhou University, 100 Science Avenue, Zhengzhou 450001, China.
College of Chemistry and Molecular Engineering, Zhengzhou University, 100 Science Avenue, Zhengzhou 450001, China.
出版信息
Spectrochim Acta A Mol Biomol Spectrosc. 2015 Feb 5;136 Pt B:416-22. doi: 10.1016/j.saa.2014.09.051. Epub 2014 Oct 8.
FNC (2'-deoxy-2'-bfluoro-4'-azidocytidine) is a novel nucleoside analogue with pharmacologic effects on several human diseases. In this work, the binding of FNC to human hemoglobin (HHb) have been investigated by absorption spectroscopy, fluorescence quenching technique, synchronous fluorescence, three-dimensional fluorescence and molecular modeling methods. Analysis of fluorescence data showed that the binding of FNC to HHb occurred via a static quenching mechanism. Thermodynamic analysis and molecular modeling suggest that hydrogen bond and van der Waals force are the mainly binding force in the binding of FNC to HHb.
FNC（2'-脱氧-2'-氟-4'-叠氮胞苷）是一种对多种人类疾病具有药理作用的新型核苷类似物。在本研究中，通过吸收光谱、荧光猝灭技术、同步荧光、三维荧光和分子模拟方法研究了FNC与人血红蛋白（HHb）的结合情况。荧光数据分析表明，FNC与HHb的结合是通过静态猝灭机制发生的。热力学分析和分子模拟表明，氢键和范德华力是FNC与HHb结合中的主要结合力。
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