CHAR OF LOW BARRIER HYDROGEN BONDS IN SERINE PROTEASES & MODEL COMPOUNDS

丝氨酸蛋白酶中低势垒氢键的特征

• 批准号: 6281553
• 负责人: PERRY A. FREY
• 金额: $ 0.72万
• 依托单位: UNIVERSITY OF WISCONSIN-MADISON
• 依托单位国家: 美国
• 财政年份: 1998
• 资助国家: 美国
• 起止时间: 1998-04-01 至 1999-02-28
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/6281553
• 关键词: biological products; biomedical resource; enzymes; nuclear magnetic resonance spectroscopy; proteins

The goal of this project is the characterization of low-barrier hydrogen bonds in serine proteases and model compounds utilizing NMR spectroscopic techniques. Chymotrypsin, with various inhibitors (including N-acetyl-L-leucyl-L-phenylalanyl-trifluoromethyl ketone) will be studied by proton NMR to evaluate the low-field chemical shifts in buffer solutions such as acetate, formate and succinate. The deuterium chemical shift values of chymotrypsin amd chymotrypsin complexed with specific inhibitors are also of interest, and will be examined. A series of acetic acid derivatives in 1:1 complexes with N-methylimidazole is also under investigation. These complexes are proposed to model the histidine-aspartate coupling in chymotrypsin and will be studied by proton and deuterium NMR in order to examine the low-field chemical shift values. Other intramolecular model compounds will be studied to examine the low-field chemical shifts. The model compounds will be prepared in solvents such a chloroform, methylene chloride and benzene.

该项目的目的是表征低障 使用NMR的丝氨酸蛋白酶和模型化合物中的氢键 光谱技术。 胰凝乳蛋白酶，具有各种抑制剂 （包括N-乙酰基-L-瓜基-L-苯基丙烷基三氟甲基酮） Proton NMR将研究低场化学 缓冲溶液（例如乙酸盐，甲酸盐和琥珀酸酯）的变化。 胰凝乳蛋白酶AMD胰凝乳蛋白酶的氘化学移位值 与特定抑制剂复合也很感兴趣，将是 检查。 1：1复合物中的一系列乙酸衍生物与 N-甲基咪唑也正在研究中。 这些复合物是 提议在甲overrypsin和 将由质子和NMR进行研究，以检查 低场化学移位值。 其他分子内模型化合物 将研究以检查低场化学位移。 模型 化合物将在溶剂中制备，例如氯仿甲基 氯化物和苯。