Enhancement of the Water Affinity of Histidine by Zinc and Copper Ions.

Enhancement of the Water Affinity of Histidine by Zinc and Copper Ions.
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通过锌和铜离子增强组氨酸的水亲和力。

DOI:
10.3390/ijms23073957
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发表时间:
2022-04-02
影响因子:
5.6
通讯作者:
Fang H
Fang H
中科院分区:
生物学2区
文献类型:
--
作者:
Song Y;Zhan J;Li M;Zhao H;Shi G;Wu M;Fang H

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组氨酸(His)广泛参与生物分子的结构和功能。过渡金属离子,如Zn 2+和Cu 2+,广泛存在于生物环境中,它们对许多维持生命的生理过程至关重要。本文通过密度泛函计算,从理论上证明了His与Zn ~(2+)和Cu ~(2+)之间强的阳离子-π相互作用可以增强His的亲水性.此外,实验证明His的溶解度在ZnCl 2和CuCl 2溶液中大大增强。荧光光谱、紫外光谱和核磁共振实验证明了阳离子-π相互作用的存在。这些发现对芳香族药物的生物利用度具有重要意义,并为理解过渡金属离子的生理功能提供了新的见解。
Histidine (His) is widely involved in the structure and function of biomolecules. Transition-metal ions, such as Zn2+ and Cu2+, widely exist in biological environments, and they are crucial to many life-sustaining physiological processes. Herein, by employing density function calculations, we theoretically show that the water affinity of His can be enhanced by the strong cation–π interaction between His and Zn2+ and Cu2+. Further, the solubility of His is experimentally demonstrated to be greatly enhanced in ZnCl2 and CuCl2 solutions. The existence of cation–π interaction is demonstrated by fluorescence, ultraviolet (UV) spectroscopy and nuclear magnetic resonance (NMR) experiments. These findings are of great importance for the bioavailability of aromatic drugs and provide new insight for understanding the physiological functions of transition metal ions.
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发表时间: 2012-05-08
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