High Throughput Screening Core

项目摘要 该计划的总体目标是发现和开发小分子口服生物可利用药物， SARS-CoV 2和其他具有大流行潜力的病毒。我们的具体作用是提供一个中央核心设施， 使用高通量筛选来识别强效和选择性药物样先导药物的专业知识和技术 化合物，并进一步表征这些化合物的浓度-响应关系，亲和力， 化学计量、解离速率、熵的贡献和所选分子靶的结合焓。我们将 还支持在高通量表型测定中测试抗病毒功效。我们打算与 项目负责人和药物化学家迅速获得关键信息的作用机制， 衍生自在进行的筛选中鉴定的化学支架的各种化合物， 药物化学计划在测试改进同系物的效力和选择性对主要 目标的

PROJECT SUMMARY The overall goal of this program is to discover and develop small molecule orally bioavailable drugs to treat SARS-CoV2 and other viruses with pandemic potential. Our specific role is to provide a central core facility, with expertise and technologies that use high-throughput screening to identify potent and selective drug-like lead compounds and further characterize these compounds for concentration-response relationships, affinity, stoichiometry, off-rates, contributions of entropy and enthalpy of binding of the chosen molecular targets. We will also support testing in high-throughput phenotypic assays for anti-viral efficacy. We intend to work closely with the project leaders and medicinal chemists to rapidly gain critical information on the mechanism of action of various compounds derived from the chemical scaffolds identified in the screens conducted and to support medicinal chemistry programs in testing improved congeners for potency and selectivity against the primary targets.