Structural characterization in solution of multifunctional nucleotide coordination systems
Structural characterization in solution of multifunctional nucleotide coordination systems
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DOI：
10.1039/b000118j
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发表时间：
2000-01-01
期刊：
影响因子：
--
通讯作者：
Tejero, R
中科院分区：
文献类型：
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作者：
Aguilar, JA;Celda, B;Tejero, R
用pH滴定和核磁共振研究了环番受体2，6，10，13，17，21-六氮[22]原环番(L-1)和2，6，10，13，17，21-六氮[22]对环番(L-2)在水溶液中与三磷酸腺苷、腺苷二磷酸和腺苷的相互作用。所得结果与类似的偏位取代受体2，6，10，13，17，21-六氮[22]偏环番(L)的结果进行了比较。所有的实验数据都支持这些环番分子通过静电、氢键和pi堆积作用作为核苷酸的多点结合体。核磁共振和分子动力学的结合使用使我们能够相当可靠地了解分子在溶液中的组织方式以及分子间相互作用(静电、氢键、圆周率堆积)是如何建立的。
The interaction in aqueous solution of the cyclophane receptors 2,6,10,13,17,21-hexaaza[22]orthocyclophane (L-1) and 2,6,10,13,17,21-hexaaza[22]paracyclophane (L-2) with the nucleotides ATP, ADP and AMP has been studied by pH titration and NMR. The obtained results are compared with those previously reported for the analogous meta-substituted receptor 2,6,10,13,17,21-hexaaza[22]metacyclophane (L). All the experimental data support the actuation of these cyclophane molecules as multi-point binders of nucleotides through electrostatic, hydrogen bonding and pi-stacking interactions. The combined use of NMR and molecular dynamics permits us to get a rather reliable picture of the way in which the molecules organise in solution and how the intermolecular interactions (electrostatics, hydrogen bonding, pi-stacking) are established.