Thymine cocrystals based on DNA-inspired binding motifs,CrystEngComm

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Thymine cocrystals based on DNA-inspired binding motifs
CrystEngComm ( IF 2.6 ) Pub Date : 2017-09-13 00:00:00 , DOI: 10.1039/c7ce01347g
Elizabeth S. Koch _{1,

2,

3,

4} , Kelly A. McKenna _{1,

2,

3,

4} , Hyo Jung Kim _{1,

2,

3,

4} , Victor G. Young _{1,

4,

5,

6} , Jennifer A. Swift _{1,

2,

3,

4}

Affiliation

Nucleic acids have been recognized as an important class of biomolecules for over half a century and are an integral component of many modern pharmaceuticals. Elucidating the associations between DNA nucleobases (thymine, cytosine, adenine and guanine) and other components in both solution and the solid state has wide-ranging applications. Far fewer thymine cocrystals have been reported compared to cocrystals of the other DNA bases. Using schemes inspired by Watson–Crick base pairing motifs, herein we investigate the cocrystallization of thymine and heterocycles with complementary hydrogen bond donors and acceptors. Our coformer screen yielded three new 1

1 cocrystals with thymine, only two of which exhibited the expected binding motif. The difficulties encountered in this nucleobase study serve to highlight some of the special challenges associated with cocrystallization of tautomeric components.

中文翻译：

胸腺嘧啶共晶体基于DNA启发的结合基序

超过半个世纪以来，核酸已被视为一类重要的生物分子，并且是许多现代药物必不可少的组成部分。阐明溶液和固态中DNA核碱基（胸腺嘧啶，胞嘧啶，腺嘌呤和鸟嘌呤）与其他成分之间的关联具有广泛的应用。与其他DNA碱基的共晶体相比，已报道的胸腺嘧啶共晶体少得多。使用受Watson-Crick碱基配对基序启发的方案，本文中我们研究了胸腺嘧啶和杂环与互补氢键供体和受体的共结晶。我们的coformer屏幕产生了三个新的1

：

1与胸腺嘧啶共晶，其中只有两个表现出预期的结合基序。在这项核碱基研究中遇到的困难凸显了与互变异构组分共结晶相关的一些特殊挑战。

更新日期：2017-09-13

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