The equilibrium structure of self-assembled protein nano-cages
The equilibrium structure of self-assembled protein nano-cages
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DOI：
10.1039/c8nr07202g
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发表时间：
2018-12-28
期刊：
影响因子：
6.7
通讯作者：
Zandi, Roya
中科院分区：
文献类型：
--
作者：
Panahandeh, Sanaz;Li, Siyu;Zandi, Roya
了解如何高度对称，强大的，单分散的蛋白质纳米笼自组装可以在生物纳米技术的各个领域，如药物输送，生物医学成像和基因治疗的主要应用。我们建立了一个模型来研究蛋白质亚基组装成具有不同大小和对称性的结构。利用MonteCarlo模拟，得到了全局最小能量结构.我们的研究结果表明，包括自发曲率，柔性和弯曲刚度的外壳蛋白的物理性质是足以预测的大小，对称性和形状选择性的组装产品。此外，在热力学的基础上，我们讨论了组装实验中观察到的纳米笼的多态性。
Understanding how highly symmetric, robust, monodisperse protein nano-cages self-assemble can have major applications in various areas of bio-nanotechnology, such as drug delivery, biomedical imaging and gene therapy. We develop a model to investigate the assembly of protein subunits into the structures with different sizes and symmetries. Using Monte Carlo simulation, we obtain global minimum energy structures. Our results suggest that the physical properties including the spontaneous curvature, flexibility and bending rigidity of coat proteins are sufficient to predict the size, symmetry and shape selectivity of the assembly products. Further, on a thermodynamic basis, we discuss the polymorphism of nano-cages observed in assembly experiments.