Covariance-based NMR of Proteins and Complex Metabolite Mixtures

基于协方差的蛋白质和复杂代谢物混合物的 NMR

• 批准号: 8786684
• 负责人: Rafael Bruschweiler
• 金额: $ 15.19万
• 依托单位: OHIO STATE UNIVERSITY
• 依托单位国家: 美国
• 财政年份: 2002
• 资助国家: 美国
• 起止时间: 2002-09-01 至 2015-04-30
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8786684
• 关键词: Covariance; based; NMR; Proteins; Complex

DESCRIPTION (provided by applicant): The overall objectives of this research are to develop and apply new nuclear magnetic resonance (NMR) methods and web-based technology for the rapid and reliable collection, processing, and analysis of NMR spectra of large and small biomolecules. The principles of Covariance NMR Spectroscopy, developed in the previous funding period, will be extended to higher dimensional spectroscopy, including GFT and projection reconstruction NMR, in order to gain substantial increase in spectral resolution along indirect dimensions and to enable the automated assignment of backbone and side-chain resonances of proteins. Covariance-based resolution enhancement methods will be developed for new 4D NOESY-schemes to increase the number of short- and long-range NMR distance constraints, including stereo-specific assignments, necessary for the determination of high-quality protein structures. Covariance NMR and other matrix-based methods for the analysis of complex metabolite mixtures will be developed to obtain quantitative information on the mixture components, not available by other methods, with the goal toward automated high-throughput fingerprinting and profiling in the emerging field of metabolomics. The methods will be made available to a broad range of users through a suite of interconnected web servers.

描述（由申请人提供）：本研究的总体目标是开发和应用新的核磁共振（NMR）方法和基于网络的技术，用于快速可靠地收集、处理和分析大分子和小分子的核磁共振波谱。在之前的资助期内开发的协方差核磁共振光谱学原理将扩展到更高维度的光谱学，包括GFT和投影重建核磁共振，以便在间接维度上获得光谱分辨率的大幅提高，并能够自动分配蛋白质的主链和侧链共振。基于协方差的分辨率增强方法将用于新的4D nosy方案，以增加短期和远程核磁共振距离约束的数量，包括立体特异性分配，这是确定高质量蛋白质结构所必需的。将开发用于分析复杂代谢物混合物的协方差NMR和其他基于矩阵的方法，以获得混合物成分的定量信息，这是其他方法无法获得的，目标是在新兴的代谢组学领域实现自动化高通量指纹和分析。这些方法将通过一套相互连接的网络服务器提供给广泛的用户。