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用量子化学方法研究一系列Pt(II)配合物作用于嘌呤碱基N7位点后对Watson-Crick碱基对AT、GC的影响.计算结果显示铂配体与碱基对AT、GC的作用以静电作用为主,同时极化作用也是影响GC碱基对的重要因素.静电作用极大地增强了铂化嘌呤碱基与嘧啶碱基间的相互作用,而嘌呤碱基与嘧啶碱基间作用与未铂化碱基对作用相近.Pd(II)和Ni(II)的相关研究得到类似的结果.碱基对间氢键作“用二阶微扰能”分析结果与氢键强弱变化一致.
The effect of a series of Pt (II) complexes on the Watson-Crick base pairs AT and GC at a purine base N7 site was investigated by quantum chemistry method. The calculated results show the interaction between platinum ligands and base pairs AT and GC The main role of electrostatic interaction at the same time polarization is also an important factor affecting the GC base pairs.Electrostatic interaction greatly enhances the platinum-purine base and pyrimidine base interaction, and the purine base and pyrimidine base interaction Similar results were obtained for related studies of Pd (II) and Ni (II). The results of the “second-order perturbation energy” analysis of base-to-hydrogen hydrogen bonds and the change of hydrogen bond strength Consistent.