咪唑喹啉衍生物与小牛胸腺DNA作用机理研究

Study on the Interaction Mechanism of Imidazolequinoline Derivatives with Calf Thymus DNA

对于咪唑喹啉衍生物(IQDs)与小牛胸腺脱氧核糖核酸(CT-DNA)的相互作用机理,采用荧光光谱法、黏度法、热变性研究和琼脂糖凝胶电泳法等实验技术进行研究。实验结果显示,咪唑喹啉衍生物Ⅰ以嵌插模式与CT-DNA作用,衍生物Ⅱ以沟槽模式与CT-DNA作用,且衍生物Ⅰ与CT-DNA的作用强于衍生物Ⅱ,而衍生物Ⅲ几乎不与CT-DNA发生作用。利用Gaussian 98量子化学程序包构建并优化3种衍生物分子模型,在HF/6-31G基组水平上进行计算,量子化学理论计算结果表明大环C9位上的取代基对结合模式和强度起着关键作用,与实验结果一致。

The mechanism of interaction between imidazoquinoline derivatives and CT-DNA was studied by fluorescence spectroscopy,DNA viscosity determination,DNA denatured temperature and gel electrophoresis.The three derivatives were found to be interacted with CT-DNA in different ways:DerivativeⅠandⅡin the mode of intercalative binding and groove binding,respectively,whereas the derivativeⅢnon-interactive.The quantum chemistry calculation for three derivatives was performed on HF/6-31G basis set after optimizing with Gaussian 98 program.The experimental and computational results showed that the substituents at C9 position of macrocycle play a key role in the binding mode and interaction strength.