完整的Virion模拟:具有原生基因组的MS2菌的全原子模型
Vladimir S Farafonov1,2, Michael Stich2,3, Dmitry A Nerukh2
1Department of Physical Chemistry, V. N. Karazin Kharkiv National University, Kharkiv 61022, Ukraine.
Journal of chemical theory and computation
|October 19, 2023
概括
研究人员创建了一个完整的细菌MS2病毒的分子动力学模型,包括它的RNA和蛋白质外. 这种详细的病毒模型有助于理解病毒生物学和宿主相互作用.
科学领域:
- 结构生物学 结构生物学
- 计算生物学 计算生物学
- 生物物理学的生物物理.
背景情况:
- 菌体MS2是一种具有蛋白质外的小RNA病毒,通常用于生物研究.
- 以前的模型缺乏完整的原子细节,阻碍了对病毒结构和动态的深入分析.
- 准确,全面的模型对于理解病毒机制和相互作用至关重要.
研究的目的:
- 构建第一个完整的全原子分子动力学模型的菌体MS2.
- 模拟模型并分析其生物物理特征.
- 建立一种用于建模其他复杂生物分子结构的方法.
主要方法:
- 构建一个全原子分子动力学模型,整合冷电子显微镜 (cryo-EM) 数据.
- 增加实验数据以重建缺失或低分辨率的结构区域.
- 进行0.25微秒的分子动力学模拟.
主要成果:
- 成功生成了细菌MS2的完整的原子模型.
- 该模型包括蛋白质外,基因组RNA和周围含有离子的水溶液.
- 从模拟中获得并分析了各种生物物理性质.
结论:
- 开发的建模方法适用于其他大型,复杂的生物分子系统,具有碎片化的实验数据.
- 菌体MS2模型为研究其生物机制提供了一个平台,包括宿主-细菌相互作用.
- 这项工作推进了病毒系统的计算结构生物学领域.
相关概念视频
DNA Bacteriophages
27
Bacteriophages, or phages, are viruses that specifically infect bacteria, utilizing their genetic material to hijack host cellular machinery for replication. DNA bacteriophages employ single-stranded DNA (ssDNA) or double-stranded DNA (dsDNA) genomes. These phages exhibit diverse replication strategies and host interactions, influencing their ecological roles and applications in biotechnology and medicine.ssDNA BacteriophagesssDNA phages, with their small genomes, utilize unique strategies to...
27
Viruses with RNA Genomes
35
RNA viruses are categorized into positive-strand, negative-strand, or double-stranded groups based on their genomic structure and replication mechanisms. This classification dictates how they exploit host cellular machinery for protein synthesis and replication. Some RNA viruses also utilize reverse transcription as part of their life cycle, further diversifying their replication strategies.Positive-Strand RNA VirusesPositive-strand RNA viruses have genomes that function directly as messenger...
35
Lytic Cycle of Bacteriophages
70.8K
Bacteriophages, also known as phages, are specialized viruses that infect bacteria. A key characteristic of phages is their distinctive “head-tail” morphology. A phage begins the infection process (i.e., lytic cycle) by attaching to the outside of a bacterial cell. Attachment is accomplished via proteins in the phage tail that bind to specific receptor proteins on the outer surface of the bacterium. The tail injects the phage’s DNA genome into the bacterial cytoplasm. In the...
70.8K
Lysogenic Cycle of Bacteriophages
62.3K
In contrast to the lytic cycle, phages infecting bacteria via the lysogenic cycle do not immediately kill their host cell. Instead, they combine their genome with the host genome, allowing the bacteria to replicate the phage DNA along with the bacterial genome. The incorporated copy of the phage genome is called the prophage. Some prophages can re-activate and enter the lytic cycle. This often occurs in response to a perturbation, such as DNA damage, but can also transpire in the absence of...
62.3K
Viral Replication: Lytic Cycle
32
Bacteriophages, or phages, are viruses that specifically infect bacteria. Among them, T-even bacteriophages, such as T4, exhibit a well-characterized lytic replication cycle in Escherichia coli (E. coli). This process ensures the rapid proliferation of the virus while ultimately leading to the destruction of the bacterial host.Attachment and DNA InjectionThe infection process begins with the recognition and binding of the T4 phage to the E. coli cell surface. Tail fibers of the phage...
32
Viral Structure
62.4K
Viruses are extraordinarily diverse in shape and size, but they all have several structural features in common. All viruses have a core that contains a DNA- or RNA-based genome. The core is surrounded by a protective coat of proteins called the capsid. The capsid is composed of subunits called capsomeres. The capsid and genome-containing core are together known as the nucleocapsid.
62.4K


