Application of NMR Based Binding Assays to Identify Key Hydroxy Groups for Intermolecular Recognition
Application of NMR Based Binding Assays to Identify Key Hydroxy Groups for Intermolecular Recognition
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应用基于 NMR 的结合测定来识别分子间识别的关键羟基
DOI：
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发表时间：
2000
期刊：
影响因子：
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通讯作者：
T. Peters
中科院分区：
文献类型：
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作者：
Martin Vogtherr and;T. Peters
一般来说，很少的官能团足以使配体与受体蛋白结合。对于碳水化合物，特征性间隔的羟基通常决定结合亲和力。关键官能团可以通过检测潜在位点被阻断的衍生物来鉴定，这通过同时检测所有这些衍生物来实现。我们采用这种平行的方法来确定接骨木凝集素（SNA），接骨木凝集素的结合特异性。使用trNOESY实验以及1D-和2D-STD NMR实验筛选随机甲基化的O-甲基吡喃葡萄糖苷的化合物文库对SNA的结合活性。各个化合物具有相同的分子量，并显示出相当相似的物理化学性质。然而，直接从混合物中快速可靠地鉴定活性化合物是可能的。结果与早期的生物化学工作一致，表明SNA具有结合特异性。
In general, few functional groups are sufficient for the binding of ligands to receptor proteins. For carbohydrates, characteristically spaced hydroxy groups often determine the binding affinity. Key functional groups may be identified by testing derivatives that have the potential sites blocked, which is most effectively achieved by simultaneous testing of all these derivatives. We employed such a parallel approach to identify the binding specificity of Sambucus nigra agglutinin (SNA), a lectin from elderberry. Compound libraries of randomly methylated O-methyl glycopyranosides were screened for binding activity toward SNA using trNOESY experiments, as well as 1D- and 2D-STD NMR experiments. The individual compounds have identical molecular weights and display rather similar physicochemical properties. Nevertheless, fast and reliable identification of the active compounds directly from the mixture was possible. The results are consistent with earlier biochemical work, showing that SNA has a binding speci...