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From Intercalation to Groove Binding: Switching the DNA-Binding Mode of Isostructural Transition-Metal Complexes

机译:从插层到凹槽结合:切换同构过渡金属配合物的DNA结合模式。

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摘要

The interaction with duplex DNA of a small library of structurally related complexes that all contain a d~6-metal ion coordinated to either the 2,2′:4,4″:4′,4′″-quaterpyridyl ligand or its methylated derivative are reported. This library is made up of a mixture of newly synthesised and previously reported systems. Despite their structural similarities the complexes display an almost 20-fold variation in binding affinities. Although effects due to the overall charge of the complexes are apparent, the differences in binding characteristics are deeper than this; indeed, in a number of cases, changes in overall charge have little effect on binding affinity. Intriguingly, despite interacting with DNA through unfused ring systems, although two of the complexes studied are groove binders, the majority are non-classical intercalators. A rationale for these effects has been obtained through a combination of experimental and computational studies.
机译:与结构相关的小型复合物文库与双链DNA的相互作用均包含与〜2,2':4,4'':4',4'''-四吡啶基配体或其甲基化衍生物配位的ad〜6-金属离子报告。该库由新合成和先前报告的系统的混合物组成。尽管它们的结构相似,但复合物的结合亲和力却表现出近20倍的变化。尽管由于复合物的总电荷而产生的效果是显而易见的,但结合特性的差异却比这更深。实际上,在许多情况下,总电荷的变化对结合亲和力几乎没有影响。有趣的是,尽管通过未稠合的环系统与DNA相互作用,尽管研究的两个复合物是凹槽结合剂,但大多数是非经典的嵌入剂。通过将实验和计算研究相结合,已经获得了这些效果的基本原理。

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