Flexible but with a defined turn-influence of the template on the binding properties of two-armed receptors.
Flexible but with a defined turn-influence of the template on the binding properties of two-armed receptors.
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灵活，但模板对双臂受体的结合特性具有明确的转角影响。
DOI：
10.1002/chem.200390046
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发表时间：
2003
期刊：
影响因子：
--
通讯作者：
M. Neuburger
中科院分区：
文献类型：
--
作者：
H. Wennemers;M. Nold;M. Conza;K. Kulicke;M. Neuburger
组合结合的研究表明，二（反式-4-氨基脯氨酸）二酮哌嗪是一个理想的模板，双臂受体对肽具有高度选择性的结合性能。它不仅上级结构上非常不同的二胺，而且也优于非对映体二（顺式-4-氨基脯氨酸）二酮哌嗪。这些经验的结果是合理的非对映体的diketopiperazines在固态的构象分析，通过X-射线晶体结构分析，以及在溶液中的NMR研究：观察高度选择性的结合，模板不仅需要构象刚性，但它必须有一个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光谱的组合给出了洞察为什么反式，反式-二酮哌嗪是一个上级模板相比，其他二胺。此外，研究结果为合理设计对肽类客体具有良好结合性能的双臂受体提供了指导。
Combinatorial binding studies revealed that the di(trans-4-aminoproline)diketopiperazine is an ideal template for two-armed receptors with highly selective binding properties towards peptides. 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.