Wolfram Research, Champaign, Illinois 61820, United States.
VeriSIM Life, San Francisco, California 94104, United States.
ACS Nano. 2021 Aug 24;15(8):12988-12995. doi: 10.1021/acsnano.1c01882. Epub 2021 Jul 23.
The viral protein containers that encapsulate a virus' genetic material are repurposed as virus-like particles in a host of nanotechnology applications, including cargo delivery, storage, catalysis, and vaccination. These viral architectures have evolved to sit on the knife's edge between stability, to provide adequate protection for their genetic cargoes, and instability, to enable their efficient and timely release in the host cell environment upon environmental cues. By introducing a percolation theory for viral capsids, we demonstrate that the geometric characteristics of a viral capsid in terms of its subunit layout and intersubunit interaction network are key for its disassembly behavior. A comparative analysis of all alternative homogeneously tiled capsid structures of the same stoichiometry identifies evolutionary drivers favoring specific viral geometries in nature and offers a guide for virus-like particle design in nanotechnology.
病毒的蛋白容器将病毒的遗传物质包裹起来，形成病毒样颗粒，在许多纳米技术应用中发挥作用，包括货物输送、储存、催化和疫苗接种。这些病毒结构在稳定性和不稳定性之间保持平衡，为其遗传物质提供足够的保护，同时也能在环境信号的作用下，在宿主细胞环境中高效、及时地释放。通过引入病毒衣壳的渗透理论，我们证明了病毒衣壳在亚基布局和亚基间相互作用网络方面的几何特征对其解体行为至关重要。对相同化学计量的所有替代均匀平铺衣壳结构的比较分析确定了有利于自然界中特定病毒几何形状的进化驱动力，并为纳米技术中的病毒样颗粒设计提供了指导。
