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Binding and Selectivity of Essential Amino Acid Guests to the Inverted Cucurbit[7]uril Host
ACS Omega ( IF 4.1 ) Pub Date : 2017-09-08 00:00:00 , DOI: 10.1021/acsomega.7b00429
Zhong-Zheng Gao 1 , Jing-Lan Kan 2 , Li-Xia Chen 1 , Dong Bai 1 , Hai-Yan Wang 1 , Zhu Tao 1 , Xin Xiao 1
Affiliation  

Interactions between inverted cucurbit[7]uril (iQ[7]) and essential amino acids have been studied at pH = 7.0 by 1H NMR spectroscopy, electronic absorption spectroscopy, isothermal titration calorimetry, and mass spectrometry. The interactions can be divided into three binding types at pH = 7.0. Experimental results from the present study showed that the host displays a strong binding to the aromatic amino acids, Trp and Phe, and the guests of Lys, Arg, and His lie outside the cavity portal of the host. Meanwhile, the alkyl moieties of the guests Met, Leu, and Ile were accommodated within the cavity of iQ[7], but there was no significant interaction between iQ[7] and Thr or Val. The complexation behavior of iQ[7] with essential amino acids was explored at pH = 3, and the binding of Lys, Arg, and His revealed an unexpected behavior, with their side chains located in the cavity of iQ[7], whereas those of the aromatic Trp and Phe were deeper within the iQ[7] cavity. The alkyl side chains of the guests Met, Leu, Ile, Thr, and Val were also located inside the iQ[7] cavity and formed the host–guest complexes.

中文翻译:

必需氨基酸客人与倒置葫芦[7] uril宿主的结合和选择性。

倒葫芦之间的相互作用[7]脲(IQ [7])和必需氨基酸进行了研究,在pH = 7.0通过11 H NMR光谱,电子吸收光谱,等温滴定量热法和质谱。在pH = 7.0时,相互作用可分为三种结合类型。本研究的实验结果表明,宿主与芳香族氨基酸Trp和Phe具有很强的结合力,而Lys,Arg和His的来宾则位于宿主的腔门外部。同时,客体Met,Leu和Ile的烷基部分被容纳在iQ [7]的腔内,但iQ [7]与Thr或Val之间没有显着的相互作用。研究了在pH = 3时iQ [7]与必需氨基酸的络合行为,Lys,Arg和His的结合显示出意想不到的行为,其侧链位于iQ [7]的腔中,而芳香族色氨酸和苯丙氨酸的那些在iQ [7]腔内更深。来宾Met,Leu,Ile,Thr和Val的烷基侧链也位于iQ [7]腔内,形成了主客体复合物。
更新日期:2017-09-08
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