动因-VI环作为核在西尼罗河病毒NS3螺旋的核
Priti Roy1, Zachary Walter2, Lauren Berish2
1Department of Chemistry, Oklahoma State University, Stillwater, OK, USA, 74078.
bioRxiv : the preprint server for biology
|December 11, 2023
概括
弗拉维病毒NS3螺旋酶 (NS3h) 具有抗病毒开发的潜力. 分子动力学模拟揭示了动机-VI循环作为一个循环.
科学领域:
- 病毒学 病毒学
- 结构生物学 结构生物学
- 生物化学 生物化学
背景情况:
- 弗拉维病毒NS3螺旋酶 (NS3h) 对于病毒复制至关重要,也是潜在的抗病毒标.
- 了解NS3h的ATP结合和水解周期是开发抑制剂的关键.
- 中间形态状态是药物发现的困难目标.
结论:
- 控制ATP口袋的MVIL的依赖形状的"门"功能是抗病毒策略的一个有希望的目标.
- 将分子建模与实验数据相结合,为NS3h功能提供了机械的理解.
- 这项研究为开发广谱病毒抗病毒药物提供了一种新的方法.
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