Selective binding of choline by a phosphate-coordination-based triple helicate featuring an aromatic box

Chuandong Jia, Wei Zuo, Dong Yang, Yanming Chen, Liping Cao, Radu Custelcean, Jiří Hostaš, Pavel Hobza, Robert Glaser, Yao Yu Wang, Xiao Juan Yang, Biao Wu*

*此作品的通讯作者

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47 引用 (Scopus)

摘要

In nature, proteins have evolved sophisticated cavities tailored for capturing target guests selectively among competitors of similar size, shape, and charge. The fundamental principles guiding the molecular recognition, such as self-assembly and complementarity, have inspired the development of biomimetic receptors. In the current work, we report a self-assembled triple anion helicate (host 2) featuring a cavity resembling that of the choline-binding protein ChoX, as revealed by crystal and density functional theory (DFT)-optimized structures, which binds choline in a unique dual-site-binding mode. This similarity in structure leads to a similarly high selectivity of host 2 for choline over its derivatives, as demonstrated by the NMR and fluorescence competition experiments. Furthermore, host 2 is able to act as a fluorescence displacement sensor for discriminating choline, acetylcholine, l-carnitine, and glycine betaine effectively.

源语言英语
文章编号938
期刊Nature Communications
8
1
DOI
出版状态已出版 - 1 12月 2017
已对外发布

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