STRUCTURE BASED DRUG DESIGN FOR TREATMENT OF PARASITIC & VIRAL DISEASES

用于治疗寄生虫的基于结构的药物设计

• 批准号: 6308882
• 负责人: GEORGE L KENYON
• 金额: $ 0.99万
• 依托单位: UNIVERSITY OF CALIFORNIA, SAN FRANCISCO
• 依托单位国家: 美国
• 财政年份: 2000
• 资助国家: 美国
• 起止时间: 2000-03-01 至 2002-02-28
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/6308882
• 关键词: biomedical resource; immunology; infection; inflammation; parasitism; proteins; spectrometry; structural biology; virus

Our goal for this project is to design and synthesize novel peptide and peptidomimetic inhibitors, specifically targeted against proteases central to the pathogenesis of malaria, schistosomiasis and hepatitis A. In the absence of X-ray structure of cysteine protease of our interest, we have simulated the enzyme model based on sequence homology to other cysteine proteases. We have designed and synthesized a wide variety of chemical compounds which include heteroaromatic inhibitors, peptide-based and peptidomimetic inhibitors. Mass spectrometry has played an important role in assoication with 1NMR, 13C NMR, 19F NMR and 31P NMR in characterizing these lead compounds of diverse chemical nature and background. MassSpectrometry will remain an integral part of our research in analyzing the next generation of inhibitors.

我们这个项目的目标是设计和合成新的 肽和拟肽抑制剂，特异性靶向于 蛋白酶是疟疾、血吸虫病和 甲型肝炎在没有X射线结构的半胱氨酸蛋白酶的情况下， 我们的兴趣，我们模拟了基于序列的酶模型， 与其他半胱氨酸蛋白酶同源。 我们已经设计并 合成了各种各样的化合物， 基于肽和肽模拟物杂芳族抑制剂 抑制剂的 质谱分析在以下方面发挥了重要作用： 结合~ 1 NMR、~（13）C NMR、~（19）F NMR和~（31）P NMR进行表征 这些先导化合物具有不同的化学性质和背景。 质谱分析将仍然是我们研究的一个组成部分， 分析下一代抑制剂