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相关概念视频

¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)01:20

¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)

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When proton-coupled carbon-13 spectra are simplified by a broadband proton decoupling technique, structural information about the coupled protons is lost. Distortionless enhancement by polarization transfer (DEPT) is a technique that provides information on the number of hydrogens attached to each carbon in a molecule. While the DEPT experiment utilizes complex pulse sequences, the pulse delay and flip angle are specifically manipulated. The resulting signals have different phases depending on...
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Mass Spectrometry: Amine Fragmentation00:55

Mass Spectrometry: Amine Fragmentation

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Amines can be identified using mass spectroscopy based on their characteristic fragmentation patterns. The molecular ions of amines undergo fragmentation via ⍺-cleavage. The ⍺-cleavage of the carbon-carbon bonds in amines generates an alkyl radical and resonance-stabilized nitrogen-containing cation.
In amines, the number of nitrogen atoms affects the mass of the molecular ion, which is described by the nitrogen rule of mass spectrometry. This rule states that a compound containing...
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Applications Of NMR In Biology01:25

Applications Of NMR In Biology

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Nuclear magnetic resonance (NMR) spectroscopy is a very valuable analytical technique for researchers. It has been used for more than 50 years as an analytical tool. F. Bloch and E. Purcell formulated NMR in 1946 and won the 1952 Nobel Prize in Physics  for their work. Biological macromolecules such as proteins, nucleic acids, lipids, and organic molecules including pharmaceutical compounds, can be studied using this versatile tool that exploits the magnetic properties of certain nuclei.
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相关实验视频

Updated: Jun 15, 2025

NMR-Based Fragment Screening in a Minimum Sample but Maximum Automation Mode
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NMR-Based Fragment Screening in a Minimum Sample but Maximum Automation Mode

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使用NMR光谱进行碎片查的协议.

Qiwei Huang1, CongBao Kang1

  • 1Experimental Drug Development Centre (EDDC), Agency for Science, Technology and Research (A∗STAR), Singapore 138670, Singapore.

STAR protocols
|August 23, 2024
PubMed
概括

本研究详细介绍了用于碎片查的核磁共振 (NMR) 光谱协议. 它可以有效地识别和映射小分子结合剂的蛋白质,如基尔斯大鼠肉瘤病毒瘤基因同类物 (KRAS).

科学领域:

  • 生物化学 生化学
  • 结构生物学 结构生物学
  • 药物发现 药物发现 药物发现

背景情况:

  • 基于碎片的药物设计对于识别新疗法至关重要.
  • 蛋白观测NMR光谱是研究蛋白质 - 连接体相互作用的强大技术.
  • 以同位素标记的蛋白质对于基于NMR的查至关重要.

研究的目的:

  • 提出使用NMR光谱检测进行碎片查的综合性协议.
  • 为了证明本协议对基尔斯顿大鼠肉瘤病毒性瘤基因同源 (KRAS) G12D蛋白的应用.
  • 为了能够绘制结合位的地图,并确定结合亲缘关系.

主要方法:

  • 生产15N标记的KRAS G12D蛋白质.
  • 使用1H-15N-异质核单量子连贯性 (HSQC) 实验进行碎片选.
  • 碎片解卷,结合亲和度的确定,以及结合部位的映射.

主要成果:

  • 通过NMR建立了一个强大的碎片查协议.
  • 该协议成功地确定了对KRAS G12D.的潜在结合剂.
  • 实现了碎片结合地点的详细地图绘制.
关键词:
这是NMR的NMR.高通量选的高通量选蛋白质表达和净化过程

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Workflow and Tools for Crystallographic Fragment Screening at the Helmholtz-Zentrum Berlin
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Workflow and Tools for Crystallographic Fragment Screening at the Helmholtz-Zentrum Berlin

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Last Updated: Jun 15, 2025

NMR-Based Fragment Screening in a Minimum Sample but Maximum Automation Mode
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NMR-Based Fragment Screening in a Minimum Sample but Maximum Automation Mode

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Nano-Differential Scanning Fluorimetry for Screening in Fragment-based Lead Discovery
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Workflow and Tools for Crystallographic Fragment Screening at the Helmholtz-Zentrum Berlin
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结论:

  • 这种基于NMR的片段查协议为药物发现提供了有价值的策略.
  • 该方法有助于对蛋白质 - 配体相互作用的表征.
  • 它通过绘制结合部位的地图,帮助开发有针对性的治疗方法.