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

这个项目的目标是描述低障碍的特征 用核磁共振研究丝氨酸蛋白酶及其模型化合物中的氢键 光谱技术。含有多种抑制剂的胰凝乳酶 (包括N-acetyl-L-leucyl-L-phenylalanyl-trifluoromethyl酮) 将通过质子核磁共振研究来评估低场化学 醋酸盐、甲酸盐和琥珀酸等缓冲溶液的漂移。 凝乳酶和凝乳酶的氚化学位移值 与特定抑制剂复合也令人感兴趣，并将 检查过了。一系列1：1的醋酸衍生物与 N-甲基咪唑也在调查中。这些复合体是 建议对凝乳酶和胰凝乳酶中的组氨酸-天冬氨酸偶联进行模拟 将通过质子和重离子核磁共振进行研究，以检查 低场化学位移值。其他分子内模型化合物 将被研究以检查低场化学位移。模型 化合物将在氯仿、亚甲基等溶剂中制备 氯化物和苯。

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.