作为折叠体的酸:是β-概念的延伸
1Contribution from the Institute of Biochemistry, Faculty of Biosciences, Pharmacy, and Psychology, University of Leipzig, Talstrasse 33, D-04103 Leipzig, Germany.
Journal of the American Chemical Society
|July 18, 2001
概括
通过替换β-中的原子来制造的酸,表现出多样化的二次结构,包括新的螺旋体. 这些独特的结构为先进的和蛋白质设计提供了潜力.
科学领域:
- * 计算化学 计算化学
- * 的化学结构
- * * 结构生物学 结构生物学
背景情况:
- *β-因其多样化的二次结构而闻名.
- *了解质结构对于设计新生物分子至关重要.
研究的目的:
- * 探索酸的构造格局.
- * 为了在酸中识别新的二次结构.
- * 评估酸在分子设计中的潜力.
主要方法:
- * 一开始的分子轨道 (MO) 理论 (HF/6-31G,MP2/6-31G,DFT/B3LYP/6-31G).
- * 分子力学. 分子力学.
- * 对阻塞的酸寡合体进行系统的构造分析.
主要成果:
- *发现了大量的二次结构,包括螺旋体,薄板和转.
- *鉴定了具有14个组成的键伪环的新型稳定螺旋.
- *与β-的结构的hydrazino结构的比较.
- * 基NH和CO组是二次结构元素的关键.
- * 酸N(alpha) H组影响结构,但对稳定性不那么重要.
结论:
- * 酸具有丰富的结构多样性,包括新的构造.
- *这些发现表明,酸是和蛋白质设计的有希望的候选者.
- *环境因素影响酸结构的稳定性和存在.
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