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首页> 外文期刊>Chemistry: A European journal >Flexible but with a Defined Turn-Influence of the Template on the Binding Properties of Two-Armed Receptors
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Flexible but with a Defined Turn-Influence of the Template on the Binding Properties of Two-Armed Receptors

机译：灵活，但模板对两臂受体的结合特性具有明确的影响

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摘要

Combinatorial binding studies revealed that the di(trans-4-amino-proline)diketopiperazine is an ideal temperature for two-armed receptors with highly selective binding properties towards peptidees. It is not only superior to structurally very different diamines but also to the diastereomeric di(cis-4-aminoproline)diketopiperazine. These empiric results are rationalized by the analysis of the conformation of the diastereomeric diketopiperazines in the solid state, by X-ray crystal structure analysis, as well as by NMR studies in solution: to observe highly selective binding, the template needs to be not only conformationally rigid but it must have a specific turn geometry. The combination of combinatorial binding studies, X-ray crystal structure analysis, and NMR spectroscopy gave insight into why the trans,trans-diketopiperazine is a superior template compared to other diamines. Additionally, the results provide a guide for the rational design of two-armed receptors with good binding properties towards peptidic guests.
机译：组合结合研究表明，di（trans-4-amino-proline）diketopiperazine是具有高度选择性对肽的结合特性的两臂受体的理想温度。它不仅优于结构上非常不同的二胺，而且还优于非对映异构体二（顺式-4-氨基脯氨酸）二酮哌嗪。通过对固态非对映体二酮哌嗪的构象进行分析，通过X射线晶体结构分析以及在溶液中进行NMR研究，可以使这些经验性结果合理化：要观察高度选择性的结合，模板不仅需要构造刚性，但必须具有特定的转弯几何形状。组合结合研究，X射线晶体结构分析和NMR光谱相结合，可以深入了解为什么反式，反式-二酮哌嗪比其他二胺更优越。另外，结果为合理设计对肽客体具有良好结合特性的双臂受体提供了指导。

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