Medicinal Chemistry Core

摘要 药物化学核心（MCC;核心4）已经形成，以解决对新型抗病毒药物的迫切需求。 剂. MCC将与项目团队和其他核心无缝合作，以缩短时间和成本 有效发现和开发新型优化先导化合物，以靶向全球病毒感染 健康意义。其使命的关键是其在工业和学术药物化学方面的能力， 这一点通过成功地将HIT演变为批准的药物而得到强调。MCC将帮助 通过基于结构的设计或实验筛选发现的命中确认，将这些发展到早期 然后按照定义的工作流程优化线索，并在每个阶段对分子进行定量度量， 过程MCC将在以下项目上进行合作：1）抑制剂的发现和开发 SARS-CoV-2 RNA依赖性RNA聚合酶（RdRp）（Nsp 12/7/8）和核酸外切酶（ExoN）（Nsp 14/10），2） 来自基于酵母的高通量筛选的病毒蛋白酶抑制剂，和3）作为抗病毒剂的syn-BNP肽 剂.

Abstract The Medicinal Chemistry Core (MCC; Core 4) has been formed to address the urgent need for novel antiviral agents. The MCC will work seamlessly with the Project Teams and other Cores to drive the time- and cost- efficient discovery and development of novel optimized lead compounds to target viral infections of global health significance. Critical to its mission is its competence in industrial and academic medicinal chemistry, which is highlighted by successful evolutions of hit to lead to approved drug. The MCC will aid in the confirmation of hits discovered through structure-based design or experimental screens, evolve these to early and then optimized leads following a defined workflow with quantitative metrics for molecules at each stage in the process. The MCC will collaborate on projects focused on the discovery and development of 1) inhibitors of SARS-CoV-2 RNA dependent RNA polymerase (RdRp) (Nsp12/7/8) and exonuclease (ExoN) (Nsp14/10), 2) viral protease inhibitors from a high-throughput yeast-based screen, and 3) syn-BNP peptides as antiviral agents.