INVESTIGATION OF CONFORMATIONAL PROPERTIES OF RESIDUES NEAR 5-FOLD SYMMETRY AXI

五重对称轴附近残基构象性质的研究

• 批准号: 8364187
• 负责人: CAROL B. POST
• 金额: $ 0.2万
• 依托单位: CARNEGIE-MELLON UNIVERSITY
• 依托单位国家: 美国
• 财政年份: 2011
• 资助国家: 美国
• 起止时间: 2011-09-15 至 2013-07-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8364187
• 关键词: Binding; Biomedical Research; Capsid; Common Cold; Family; Funding; Grant; High Performance Computing; Human; Investigation; Life Cycle Stages; National Center for Research Resources; Pharmaceutical Preparations; Pharmacologic Substance; Principal Investigator; Process; Property; Research; Research Infrastructure; Resources; Rhinovirus; Source; United States National Institutes of Health; Viral Proteins; Virus; cost; drug discovery; insight; simulation; small molecule

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. Human Rhinovirus (HRV), a causative agent of the common cold, is a well studied pharmaceutical target with considerable structural information known about it. Small molecule compounds bind to the HRV viral protein (VP1) in an internal pocket located near the 5-fold symmetry axis of the capsid shell, and interrupt the virus life cycle by inhibiting the uncoating process. We want to study the uncoating process and how drug effect it by simulation. Simulation study will give detail insight for new drug discovery for viruses of same family.

该子项目是利用资源的众多研究子项目之一 由 NIH/NCRR 资助的中心拨款提供。子项目的主要支持 并且子项目的主要研究者可能是由其他来源提供的， 包括其他 NIH 来源。 子项目可能列出的总成本 代表子项目使用的中心基础设施的估计数量， NCRR 赠款不直接向子项目或子项目工作人员提供资金。 人类鼻病毒 (HRV) 是普通感冒的病原体，是一个经过充分研究的药物靶标，具有大量已知的结构信息。小分子化合物与位于衣壳 5 重对称轴附近的内部口袋中的 HRV 病毒蛋白 (VP1) 结合，并通过抑制脱壳过程来中断病毒生命周期。我们想通过模拟研究脱衣过程以及药物如何影响它。模拟研究将为同一家族病毒的新药发现提供详细的见解。