Medicinal Chemistry Core

药物化学核心

基本信息

批准号：
10513918
负责人：
JAMES M BALKOVEC
金额：
$ 403.36万
依托单位：
HACKENSACK UNIVERSITY MEDICAL CENTER
依托单位国家：
美国
项目类别：
财政年份：
2022
资助国家：
美国
起止时间：
2022-05-16 至 2025-04-30
项目状态：
未结题

来源：
https://reporter.nih.gov/project-details/10513918
关键词：
Address Antiviral Agents Biological Biological Assay Biological Availability Biotechnology COVID-19 pandemic COVID-19 therapeutics Chemicals Competence Complement Cryoelectron Microscopy Crystallography Data Development Docking Drug Interactions Drug Kinetics Drug toxicity Ensure Evaluation Evolution Exonuclease Generations Goals Human In Vitro Industrialization Industry Lead Leadership Libraries Logistics Mammalian Cell Mission Modeling Molecular Oral Peptides Pharmaceutical Chemistry Pharmaceutical Preparations Pharmacologic Substance Postdoctoral Fellow Process Property Protease Inhibitor RNA-Directed RNA Polymerase Research Personnel SARS-CoV-2 inhibitor Series Source Structure Structure-Activity Relationship Synthesis Chemistry Time Toxic effect Translations Validation Viral Virus Virus Diseases Vision Work Yeasts analog anti-viral efficacy base cheminformatics cost efficient cytotoxicity design drug candidate drug development drug discovery experience follow-up global health improved in vivo insight lead optimization metropolitan novel novel therapeutics pandemic disease programs screening small molecule translational potential

项目摘要

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.

抽象的已经形成了药物化学核心（MCC; CORE 4），以满足迫切需要的新型抗病毒药代理商。 MCC将与项目团队和其他核心无缝合作，以推动时间和成本 - 有效发现和开发新型优化铅化合物，以靶向全球的病毒感染健康意义。对其任务至关重要的是其在工业和学术化学方面的能力，成功的进化进化为导致批准的药物而强调。 MCC将有助于通过基于结构的设计或实验屏幕发现的点击确认，将其演变为早期然后在定义的工作流程中优化引线，并在每个阶段的定量指标中的定量指标过程。 MCC将在重点关注发现和开发的项目上合作1） SARS-COV-2 RNA依赖性RNA聚合酶（RDRP）（NSP12/7/8）和外核酸酶（外显子）（NSP14/10），2），2），2）来自高通量酵母筛查的病毒蛋白酶抑制剂，3）Syn-BNP肽作为抗病毒代理商。