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A propeller-like small molecule as a novel G-quadruplex DNA binder: The study of fluorescent sensing property and preferential interactions with human telo21 structure.
Chemical Biology & Drug Design ( IF 3 ) Pub Date : 2018-10-03 , DOI: 10.1111/cbdd.13394
Ning Sun 1 , Dongli Li 2, 3 , Jinqiang Hou 4 , Wei Long 4 , Qi Guo 5 , Yujing Lu 4 , Kun Zhang 2, 3 , Wenchang Yuan 1 , Wing-Leung Wong 2, 3
Affiliation  

A new propeller-like small molecule was synthesized with three terminal amino side groups. The molecule was found to be a selective nucleic acid binder towards telo21 G-quadruplex DNA compared with other representative nucleic acids including single-stranded DNA (dA21), duplex DNA (ds26) and RNA. The fluorescent signal of the molecule upon interaction with telo21 G-quadruplex structure shows remarkable enhancement (Fmax /F0 = 17.9) while interaction with other nucleic acids shows the signal enhancement which is less than 2.1. In addition, a good linear relationship of binding signal correlated with the concentration of telo21 DNA was obtained. Molecular docking study was also performed to acquire the binding behaviour and its interaction modes of the molecule with the structure of human telomeric DNA G-quadruplex. The modelling results show that the three conjugated terminal units (dimethylaminobenzyl groups) associated through the ethylene bridges with the central methylated pyridine ring formed a co-planar conformation upon stacking onto the G-quartets via pi-pi stacking interactions. This could be the key reason that the molecule shows excellent fluorescent signal of binding towards telo21 G-quadruplex DNA rather than other types of nucleic acids.

中文翻译:

像螺旋桨一样的小分子,作为新型G-四链体DNA结合物:荧光传感特性以及与人类telo21结构的优先相互作用的研究。

合成了具有三个末端氨基侧基的新型螺旋桨状小分子。与包括单链DNA(dA21),双链DNA(ds26)和RNA的其他代表性核酸相比,发现该分子是针对telo21 G-四链体DNA的选择性核酸结合物。与telo21 G-四链体结构相互作用时,该分子的荧光信号显示出显着的增强(Fmax / F0 = 17.9),而与其他核酸的相互作用显示出小于2.1的信号增强。另外,获得了与telo21 DNA的浓度相关的结合信号的良好线性关系。还进行了分子对接研究,以获取该分子与人端粒DNA G-四链体结构的结合行为及其相互作用模式。建模结果表明,通过乙烯桥与中心甲基化吡啶环缔合的三个共轭末端单元(二甲基氨基苄基)在通过pi-pi堆叠相互作用堆叠到G四联体上时形成了共面构象。这可能是分子显示出与telo21 G-四链体DNA而非其他类型核酸结合的优异荧光信号的关键原因。
更新日期:2018-10-03
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