STRUCTURE BASED DRUG DESIGN FOR TREATMENT OF PARASITIC & VIRAL DISEASES

我们这个项目的目标是设计和合成小说 多肽和模拟多肽的抑制剂，特别针对 在疟疾、血吸虫病和血吸虫病的发病机制中起核心作用的蛋白酶 甲型肝炎在缺乏半胱氨酸蛋白酶X射线结构的情况下 我们感兴趣的是，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。我们设计并制作了 合成了各种各样的化合物，包括 基于多肽和模拟多肽的杂芳烃抑制剂 抑制剂。质谱学在以下方面发挥了重要作用 核磁共振1C、13C、19F、31P核磁共振表征方法的研究 这些先导化合物具有不同的化学性质和背景。 质谱学将继续是我们研究的一个组成部分 分析下一代的抑制剂。

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.