School of Chemistry and Chemical Engineering, Henan Normal University, Xinxiang, Henan 453007, PR China.
Spectrochim Acta A Mol Biomol Spectrosc. 2013 Mar;104:492-6. doi: 10.1016/j.saa.2012.11.060. Epub 2012 Dec 5.
In this study, one of the amino phosphine ester derivatives α-(3-hydroxy-4-methoxyphenyl)-N-phenyl-α-aminophosphonate (HMPAP) was synthesized, and the molecular interaction of HMPAP with ct-DNA has been investigated by UV-Vis absorption spectra, fluorescence spectra, isothermal titration calorimetry (ITC) and molecular modeling. The binding constant (K(b)) of HMPAP to ct-DNA at different temperatures were calculated from fluorescence spectra. According to the UV-Vis absorption spectra, ethidium bromide displacement studies and ITC experimental results, we can conclude that HMPAP is an intercalator. The molecular modeling results indicated that HMPAP can slide into the G-C rich region of ct-DNA. ITC data showed that ct-DNA/HMPAP binding is enthalpy controlled. Furthermore, the results obtained from molecular modeling corroborated the experimental results obtanied from spectroscopic and ITC investigations.
在这项研究中，合成了一种氨基酸膦酸酯衍生物 α-(3-羟基-4-甲氧基苯基)-N-苯基-α-氨基膦酸酯（HMPAP），并通过紫外可见吸收光谱、荧光光谱、等温热力学滴定（ITC）和分子模拟研究了 HMPAP 与 ct-DNA 的分子相互作用。从荧光光谱计算了 HMPAP 与 ct-DNA 在不同温度下的结合常数（K(b)）。根据紫外可见吸收光谱、溴化乙锭置换研究和 ITC 实验结果，可以得出 HMPAP 是一种嵌入剂的结论。分子模拟结果表明，HMPAP 可以滑入 ct-DNA 的 G-C 丰富区域。ITC 数据表明，ct-DNA/HMPAP 结合是焓驱动的。此外，分子模拟得到的结果与光谱和 ITC 研究获得的实验结果相符。
