在糖抗生素中,连接体结合和二聚化之间的配置和合作性
Sutjano Jusuf1, Patrick J Loll, Paul H Axelsen
1Department of Pharmacology, University of Pennsylvania, Philadelphia 19104, USA.
Journal of the American Chemical Society
|March 27, 2003
概括
草甘抗生素在没有结构变化的情况下表现出合作性. 由于降低了性成本,体结合和二元化是合作的,这是由改变的振动活动驱动的,而不是结构变化.
科学领域:
- 生物化学 生物化学
- 分子生物物理学 分子生物物理学
- 化学生物学 化学生物学
背景情况:
- 寡合化和带结合往往是合作的,通常是由结构变化驱动的.
- 葡萄糖抗生素显示合作结合没有显著的结构变化,提出了一个机制问题.
研究的目的:
- 在没有重大结构变化的情况下,研究糖抗生素的合作机制.
- 为了确定是否改变了振动动态可以解释观察到的合作性.
主要方法:
- 完全溶解的分子动力学模拟的甲菌素,甲菌素和脱甲菌素.
- 准和的正常模式分析来导出配置.
- 对无连接体和连接体结合的单体和二元体形式的分析.
主要成果:
- 连带结合和二元化都带来了性成本,由振动模式向更高频率和更低幅度的转移表明.
- 联体结合和二元化的综合性成本小于它们的单个成本的总和.
- 配置的减少足以解释实验观察到的合作性.
结论:
- 生物化学合作性可以通过振动活动的变化来调解,而不依赖于显著的结构变化.
- 这种改变了振动动态的机制可能代表了各种宏分子系统中的一般性原理.
- 糖抗生素的合作性源于振动模式的性节约,而不是结构变化.
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