碳水化合物氨基酸:碳化合物构建块中的β转型结构的内在形状偏好
Rebecca A Jockusch1, Francis O Talbot, Paul S Rogers
1Chemistry Department, Physical and Theoretical Chemistry Laboratory, South Parks Road, Oxford OX1 3QZ, UK. rebecca.jockusch@utoronto.ca
Journal of the American Chemical Society
|December 21, 2006
概括
被称为carbopeptoids的仿真体更喜欢由键稳定的β-转结构. 延长的碳类链可以通过替代的键安排形成更稳定的结构.
科学领域:
- 超分子化学 超分子化学
- 计算化学计算化学
- 有机化学 有机化学
背景情况:
- 仿真对开发新疗法和理解生物过程至关重要.
- 碳类,是一种基于cis-tetrahydrofuran的仿真的一类,具有独特的结构性质.
- 了解这些构建块的内在结构偏好对于设计新型分子架构至关重要.
研究的目的:
- 为了确定基于cis-tetrahydrofuran的碳类单元的内在构造偏好.
- 研究分子内键在稳定特定形状中的作用.
- 为了探索扩展的碳类二聚体单元的构造格局.
主要方法:
- 红外离子浸泡光谱学被用来研究低温下分离的碳类分子.
- 密度函数理论 (DFT) 和ab initio计算被用来分析分子结构和能量.
- 对单体和二元碳蛋白单元进行了构造分析.
主要成果:
- 基本的碳类单元表现出对β转型结构 (C10转) 的强烈偏好.
- 这种C10转变被一个分子内NH --> O=C键在四基环中稳定.
- 在扩展的碳类二聚体上进行的计算揭示了具有替代结模式的符合者,这些模式比最低能量的双β转变更稳定.
结论:
- 碳类固醇本质上偏好单独的β转结构,由特定的键稳定.
- 构造格局丰富,在相关分子中具有替代结构的潜力.
- 扩展的碳类链可以通过不同的结策略来采用更稳定的构造.
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Protein Organization
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Protein Organization
Proteins are polymers of amino acid residues. They are versatile and responsible for different cellular functions, including DNA replication, molecular transport, catalysis, and structural support. Proteins have a hierarchical structure comprising at least three levels of organization: primary, secondary, and tertiary structure. Some large proteins have a quaternary structure where individual protein subunits are linked together.
The primary structure of a protein is its amino acid sequence.
The primary structure of a protein is its amino acid sequence.
Protein Organization
Proteins are polymers of amino acid residues. They are versatile and responsible for different cellular functions, including DNA replication, molecular transport, catalysis, and structural support. Proteins have a hierarchical structure comprising at least three levels of organization: primary, secondary, and tertiary structure. Some large proteins have a quaternary structure where individual protein subunits are linked together.
The primary structure of a protein is its amino acid sequence.
The primary structure of a protein is its amino acid sequence.
Protein and Protein Structure
Proteins are one of the most abundant organic molecules in living systems and have the most diverse range of functions of all macromolecules. Proteins may be structural, regulatory, contractile, or protective. They may serve in transport, storage, or membranes; or they may be toxins or enzymes. Their structures, like their functions, vary greatly. They are all, however, amino acid polymers arranged in a linear sequence.
A protein's shape is critical to its function. For example, an enzyme can...
A protein's shape is critical to its function. For example, an enzyme can...
Protein Folding
Overview
Protein Folding
Proteins are chains of amino acids linked together by peptide bonds. Upon synthesis, a protein folds into a three-dimensional conformation, critical to its biological function. Interactions between its constituent amino acids guide protein folding, and hence the protein structure is primarily dependent on its amino acid sequence.
Protein Structure Is Critical to Its Biological Function
Proteins perform a wide range of biological functions such as catalyzing chemical reactions, providing...
Protein Structure Is Critical to Its Biological Function
Proteins perform a wide range of biological functions such as catalyzing chemical reactions, providing...
