动态衣壳供给在病毒衣壳自组装中的作用
Role of dynamic capsomere supply for viral capsid self-assembly
摘要：
许多病毒依靠其衣壳的自组装来保护和运输其基因组物质。对于许多病毒系统，特别是对于导致持续感染的人类病毒如乙型肝炎病毒、腺病毒或人类免疫缺陷病毒，衣壳在宿主细胞的细胞质中连续产生，而完成的衣壳离开细胞进行新一轮感染。在这里，我们使用粗粒度的布朗动力学模拟一个通用的补丁粒子模型来阐明空的T1二十面体病毒衣壳的可逆自组装的动态供应的壳粒的作用。我们发现，对于高速率的衣壳流入只有一个狭窄的范围内的键强度存在的连续衣壳生产的稳定状态是可能的。对于小于和大于该最佳值的键强度，反应体积分别被小的和大的中间体所拥挤。对于较低速率的衣壳流入，存在更宽范围的结合强度，建立了连续衣壳生产的稳定状态，尽管现在衣壳的生产速率较小。因此，我们的模拟表明，在体外条件下典型的病毒衣壳组装的最佳结合强度的重要性可以通过在细胞环境中的衣壳的动态流入而降低。
英文摘要：
Many viruses rely on the self-assembly of their capsids to protect and transport their genomic material. For many viral systems, in particular for human viruses like hepatitis B, adeno or human immunodeficiency virus, that lead to persistent infections, capsomeres are continuously produced in the cytoplasm of the host cell while completed capsids exit the cell for a new round of infection. Here we use coarse-grained Brownian dynamics simulations of a generic patchy particle model to elucidate the role of the dynamic supply of capsomeres for the reversible self-assembly of empty T1 icosahedral virus capsids. We find that for high rates of capsomere influx only a narrow range of bond strengths exists for which a steady state of continuous capsid production is possible. For bond strengths smaller and larger than this optimal value, the reaction volume becomes crowded by small and large intermediates, respectively. For lower rates of capsomere influx a broader range of bond strengths exists for which a steady state of continuous capsid production is established, although now the production rate of capsids is smaller. Thus our simulations suggest that the importance of an optimal bond strength for viral capsid assembly typical for in vitro conditions can be reduced by the dynamic influx of capsomeres in a cellular environment.
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