[Ru(bpy)2dppz-idzo]2+: a colorimetric molecular "light switch" and powerful stabilizer for G-quadruplex DNA.
[Ru(bpy)2dppz-idzo]2+: a colorimetric molecular "light switch" and powerful stabilizer for G-quadruplex DNA.
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DOI：
10.1039/c3dt32640c
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发表时间：
2013-03
影响因子：
4
通讯作者：
Junliang Yao;Xing Gao;Wenliang Sun;Shuo Shi;Tianming Yao
中科院分区：
文献类型：
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作者：
Junliang Yao;Xing Gao;Wenliang Sun;Shuo Shi;Tianming Yao
合成并表征了一种新的钌配合物[Ru（bpy）2dppz-idzo]（2+）（bpy = 2，2 '-联吡啶，dppz-idzo =联吡啶并[3，2-a：2'，3 '-c]吩嗪-咪唑啉酮）。发光滴定结果表明，在K（+）溶液中，Ru配合物在G-四链体DNA存在下表现出显著的“光开关”效应，发光增强因子约为300。这种显著的“光开关”行为甚至可以在紫外光照射下通过肉眼观察到。为了深入了解“光开关”机制，基于DFT/TDDFT/PCM方法在B3 LYP/6- 31 G * 水平上进行量子化学计算。此外，CD滴定和热熔融实验表明，[Ru（bpy）2dppz-idzo]（2+）不仅能在一价阳离子不存在的情况下诱导形成反平行的G-四链体结构，而且具有稳定G-四链体结构的能力，这意味着在抗癌治疗中的潜在应用。[Ru（bpy）2dppz-idzo]（2+）的“光开关”效应和结构稳定能力均上级已知的DNA分子“光开关”[Ru（bpy）2dppz]（2+）。最后，在分子对接模拟的基础上，提出了一个“类锚”结合模型。
A new ruthenium complex, [Ru(bpy)2dppz-idzo](2+) (bpy = 2,2'-bipyridine, dppz-idzo = dipyrido-[3,2-a:2',3'-c] phenazine-imidazolone), was synthesized and characterized. The luminescent titrations showed that the Ru-complex exhibited an outstanding "light switch" effect with an emission enhancement factor of about 300 in the presence of G-quadruplex DNA in a K(+) solution. This remarkable "light switch" behavior can even be observed by the naked eye under irradiation with UV light. To get an insight into the "light switch" mechanism, quantum-chemical calculations were performed based on the DFT/TDDFT/PCM method at the B3LYP/6-31G* level. Furthermore, the CD titrations and thermal melting experiments indicated that [Ru(bpy)2dppz-idzo](2+) could not only induce the formation of an antiparallel G-quadruplex structure in the absence of monocations, but also has the ability to stabilize the G-quadruplex architecture, implying potential applications in anticancer therapeutics. Both the "light switch" effect and the structure stabilization ability of [Ru(bpy)2dppz-idzo](2+) were found to be superior to the well-known DNA molecular "light switch" [Ru(bpy)2dppz](2+). Finally, a "sandwich-like" binding model was proposed on the basis of molecular docking simulations.