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.

该副本是利用资源的众多研究子项目之一 由NIH/NCRR资助的中心赠款提供。对该子弹的主要支持 而且，副投影的主要研究员可能是其他来源提供的 包括其他NIH来源。 列出的总费用可能 代表subproject使用的中心基础架构的估计量， NCRR赠款不直接向子弹或副本人员提供的直接资金。 人类鼻病毒（HRV）是一种普通感冒的致病药物，是一个经过良好研究的药物靶标，对其进行了相当多的结构信息。小分子化合物与位于衣壳壳5倍对称轴的内部口袋中的HRV病毒蛋白（VP1）结合，并通过抑制脱围过程来中断病毒生命周期。我们想研究未涂覆过程以及通过模拟如何对其进行药物作用。模拟研究将为同一家庭病毒的新药物发现提供详细信息。