Medicinal Chemistry Core

摘要 药物化学核心(MCC；核心4)已经成立，以满足对新型抗病毒药物的迫切需求 探员们。MCC将与项目团队和其他核心无缝合作，以推动时间和成本- 高效发现和开发针对全球病毒感染的新型优化先导化合物 对健康有重要意义。对它的使命至关重要的是它在工业和学术药物化学方面的能力， HIT的成功演变突显了这一点，从而导致了批准的药物。MCC将协助 确认通过基于结构的设计或实验筛选发现的点击率，将这些发展到早期 然后按照定义的工作流程优化销售线索，并在每个阶段提供分子的定量指标 这一过程。MCC将在以发现和开发1)抑制剂为重点的项目上进行合作 SARS-CoV-2依赖RNA聚合酶(RdRp)(Nsp12/7/8)和外显子(Nsp14/10)，2 来自高通量酵母筛选的病毒蛋白酶抑制剂，以及3)作为抗病毒的Synn-BNP多肽 探员们。

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.