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相关概念视频

Stereoisomerism02:52

Stereoisomerism

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Isomerism in Complexes
Isomers are different chemical species that have the same chemical formula.
Transition metal complexes often exist as geometric isomers, in which the same atoms are connected through the same types of bonds but with differences in their orientation in space. Coordination complexes with two different ligands in the cis and trans positions from a ligand of interest form isomers. For example, the octahedral [Co(NH3)4Cl2]+ ion has two isomers (Figure 1) In the cis...
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Prochirality02:05

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The concept of prochirality leads to the nomenclature of the individual faces of a molecule and plays a crucial role in the enantioselective reaction. It is a concept where two or more achiral molecules react to produce chiral products. A typical process is the reaction of an achiral ketone to generate a chiral alcohol. Here, the achiral reactant reacts with an achiral reducing agent, sodium borohydride, to generate an equimolar mixture of the chiral enantiomers of the product. For example, an...
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Woodward–Hoffmann Selection Rules and Microscopic Reversibility01:34

Woodward–Hoffmann Selection Rules and Microscopic Reversibility

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Electrocyclic reactions, cycloadditions, and sigmatropic rearrangements are concerted pericyclic reactions that proceed via a cyclic transition state. These reactions are stereospecific and regioselective. The stereochemistry of the products depends on the symmetry characteristics of the interacting orbitals and the reaction conditions. Accordingly, pericyclic reactions are classified as either symmetry-allowed or symmetry-forbidden. Woodward and Hoffmann presented the selection criteria for...
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Transducer Mechanism: Enzyme-Linked Receptors01:27

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Enzyme-linked receptors are cell-surface receptors acting as an enzyme or associating with an enzyme intracellularly. They make excellent drug targets. Drugs can bind to the extracellular ligand-binding domain or directly affect their enzymatic domain and alter their activity.
Major types that are helpful drug targets include:
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Enzyme-linked receptors are proteins that act as both receptor and enzyme, activating multiple intracellular signals. This is a large group of receptors that include the receptor tyrosine kinase (RTK) family. Many growth factors and hormones bind to and activate the RTKs.
Neurotrophin (NT) receptors are a family of RTKs, including trkA, trkB, and trkC (tropomyosin-related kinase) receptors. TrkA is specific for nerve growth factor (NGF), neurotrophin-6, and neurotrophin-7. TrkB binds...
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Racemic Mixtures and the Resolution of Enantiomers02:30

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A racemic mixture, or racemate, is an equimolar mixture of enantiomers of a molecule that can be separated using their unique interaction with chiral molecules or media. Racemic mixtures are denoted by the (±)- prefix. This ‘optical rotation descriptor’ applies to the whole solution of a racemic mixture rather than a specific stereoisomer. Enantiomers typically have the same physical and chemical properties. Hence, they are not easily separable. However, enantiomers can exhibit...
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在多元组件环境中对抗识别.

Joanna Mazurkiewicz1,2, Ewa Stanek2,3, Pedro Maximiano4

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概括

专对素 (AXT) 进行反选择性结合,有利于S,S形式而不是R,R形式,但只有当AXT是种族性时. 这种enantiopreference是由不同的结合方式和能量解释的.

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科学领域:

  • 生物化学 生物化学
  • 结构生物学 结构生物学
  • 药理学 药理学是指药理学的学科.

背景情况:

  • 专是一种关键的运输蛋白质,具有已知的各种连接体的结合点.
  • 阿斯塔克桑丁 (AXT) 是一种具有潜在治疗应用的胡卜素,存在于不同的立体同位素.
  • 了解立体同位素与蛋白质相互作用对于药物开发和生物可用性至关重要.

研究的目的:

  • 为了研究与专辑蛋白结合的阿斯塔克桑丁 (AXT) 中的反偏差.
  • 阐明在蛋白质结合中的AXT enantioselectivity背后的分子机制.
  • 为了将结合特征与AXT立体化学相关联.

主要方法:

  • 使用了手术光学光谱仪 (例如,圆形二重化).
  • 使用了包括分子对接和分子动力学模拟在内的计算方法.
  • 进行了量子化学计算以评估相互作用能量.

主要成果:

  • 对于 (3S,3'S) -AXT而不是 (3R,3'R) -AXT与白素结合的对比值特别观察到种族性AXT.
  • 确定了 (3S,3'S) -AXT的独特结合模式,与 (3R,3'R) -AXT的多种可能性形成鲜明对比.
  • 较高的相互作用能被计算为 (3R,3'R) -AXT与阿尔伯的反体.

结论:

  • 专对阿斯塔桑丁表现出反选择性,有利于S,S同位素在赛米混合物中.
  • 观察到的enantiopreference是由不同的结合模式和差异性相互作用能量驱动的.
  • 这些发现为刻板选择性药物蛋白相互作用提供了分子洞察力.