Drug discovery and structural biology by NMR spectroscopy

通过核磁共振波谱发现药物和结构生物学

• 批准号: DP170100162
• 负责人: Prof Gottfried Otting
• 金额: $ 36.31万
• 依托单位: The Australian National University
• 依托单位国家: 澳大利亚
• 项目类别: Discovery Projects
• 财政年份: 2017
• 资助国家: 澳大利亚
• 起止时间: 2017-01-01 至 2019-12-31
• 项目状态: 已结题
• 来源: https://dataportal.arc.gov.au/RGS/Web/Grants/DP170100162
• 关键词: Drug; discovery; structural; biology; NMR

This project aims to extend the use of nuclear magnetic resonance (NMR) spectroscopy in rational drug development and protein structure analysis. A new chemical labelling approach provides detailed three-dimensional structure information of large protein-ligand complexes, needed for structure-based lead-compound development. New chemical and paramagnetic lanthanide tags for site-specific dual labelling of proteins will enhance this technology, which will assess target-drug interactions by in-cell electron paramagnetic resonance (EPR) spectroscopy. The techniques offer scope for accelerated drug development in the pharmaceutical industries.

本项目旨在扩大核磁共振波谱技术在合理药物开发和蛋白质结构分析中的应用。一种新的化学标记方法提供了基于结构的先导化合物开发所需的大型蛋白质配体复合物的详细三维结构信息。新的化学和顺磁镧系标签用于蛋白质的位点特异性双重标记，将增强该技术，该技术将通过细胞内电子顺磁共振（EPR）光谱评估靶药物相互作用。这些技术为制药行业加速药物开发提供了空间。