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光谱学、建模和量热法研究氨基膦酸酯衍生物与 DNA 的相互作用。

Study on the interaction of amino phosphine ester derivatives with DNA by spectroscopy, modeling and calorimetry.

机构信息

College of Chemistry and Environmental Science, Henan Normal University, Xinxiang, Henan 453007, PR China.

出版信息

Spectrochim Acta A Mol Biomol Spectrosc. 2011 Nov;82(1):247-52. doi: 10.1016/j.saa.2011.07.044. Epub 2011 Jul 23.

DOI:10.1016/j.saa.2011.07.044
PMID:21820952
Abstract

The binding properties of amino phosphate ester derivatives, compound 1 and 2 with calf thymus DNA (CT-DNA) were investigated by UV spectra, fluorescence spectra, molecular modeling and isothermal titration calorimetry (ITC). The intrinsic binding constants K(b) of compound 1 and 2 with CT-DNA were determined by fluorescence spectroscopy and ITC, respectively. The results indicated that the two compounds bind to CT-DNA with different binding affinity, which is in the order of compound 1>compound 2. At the same time, fluorescence spectra suggested that the mechanism of the binding of the two compounds to CT-DNA is a static enhancing type. According to the ethidium bromide displacement experiments, UV spectra, molecular modeling and ITC studies, it can be concluded that compound 1 and 2 are intercalators that can slide into the G-C rich region of CT-DNA. Furthermore, ITC data showed that compound/DNA binding is enthalpy controlled.

摘要

采用紫外可见吸收光谱、荧光光谱、分子模拟和等温热力学滴定(ITC)研究了氨基酸磷酸酯衍生物 1 和 2 与小牛胸腺 DNA(CT-DNA)的结合性质。通过荧光光谱法和 ITC 分别测定了化合物 1 和 2 与 CT-DNA 的固有结合常数 K(b)。结果表明,两种化合物与 CT-DNA 的结合亲和力不同,其顺序为化合物 1>化合物 2。同时,荧光光谱表明两种化合物与 CT-DNA 的结合机制为静态增强型。根据溴化乙锭置换实验、紫外可见吸收光谱、分子模拟和 ITC 研究,可以得出结论,化合物 1 和 2 是可以插入 CT-DNA 中富含 G-C 区域的嵌入剂。此外,ITC 数据表明化合物/DNA 结合是焓控制的。

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