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1NNMR、13C NMR、19F NMR和31P NMR进行表征 这些先导化合物具有不同的化学性质和背景。 质量 光谱分析将仍然是我们研究的一个组成部分， 下一代抑制剂

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 INMR, 13C NMR, 19F NMR and 31P NMR in characterizing these lead compounds of diverse chemical nature and background. Mass Spectrometry will remain an integral part of our research in analyzing the next generation of inhibitors.