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

这个子项目是许多利用资源的研究子项目之一 由NIH/NCRR资助的中心拨款提供。子项目的主要支持 而子项目的主要调查员可能是由其他来源提供的， 包括其它NIH来源。 列出的子项目总成本可能 代表子项目使用的中心基础设施的估计数量， 而不是由NCRR赠款提供给子项目或子项目工作人员的直接资金。 人鼻病毒（Human Rhinovirus，HRV）是一种常见的感冒病原体，它是一种被广泛研究的药物靶点，小分子化合物与HRV病毒蛋白（VP 1）结合，通过抑制病毒外壳的脱壳过程来阻断病毒的生命周期。我们希望通过模拟来研究药物的脱膜过程以及药物对脱膜过程的影响。模拟研究将为同一家族病毒的新药发现提供详细的见解。

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.