内分子胺堆叠及其与小型折叠体中的键的竞争
William H James1, Christian W Müller, Evan G Buchanan
1Department of Chemistry, Purdue University, West Lafayette, Indiana 47907, USA.
Journal of the American Chemical Society
|September 18, 2009
概括
玛中的碳胺组可以形成有吸引力的"堆叠"相互作用,与传统的键相竞争. 这一发现为设计新型折叠结构提供了新的可能性.
科学领域:
- 有机化学 有机化学
- 超分子化学 超分子化学
- 类化学 类化学
背景情况:
- 碳胺基团在和折叠分子中是基本的.
- 分子内键是稳定形状的关键相互作用.
- 在分子设计中,越来越多地认识到超出键的非共价相互作用.
研究的目的:
- 在堆叠几何学中研究碳胺组之间的有吸引力的相互作用.
- 探索胺堆叠的能量贡献与胺中的化合物结合相比.
- 评估胺堆叠在折叠机设计中的潜力.
主要方法:
- 红外光谱检测Ac-gamma(2)-hPhe-NHMe的分离形状.
- 分子构造和相互作用的计算分析.
主要成果:
- 确定了一个具有平行胺平面和反对齐双极 (堆叠几何) 的稳定构造.
- 堆叠的构造在能量上与具有分子内胺-胺键的构造相比较.
- 证明了氨基酸堆叠可以在固态可行时与结合竞争.
结论:
- 具有吸引力的碳胺-碳胺堆叠是玛的可行的相互作用.
- 这种堆叠相互作用可以作为折叠机稳定中的结合的替代品.
- 胺堆叠为设计具有量身定制属性的折叠结构提供了一个新的设计原则.
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