PDF(Pubmed)
Abstract：
The surface functionalization of polymer-mediated drug/gene delivery holds immense potential for disease therapy. However, the design principles underlying the surface functionalization of polymers remain elusive. In this study, we employed computer simulations to demonstrate how the stiffness, length, density, and distribution of polymer ligands influence their penetration ability across the cell membrane. Our simulations revealed that the stiffness of polymer ligands affects their ability to transport cargo across the membrane. Increasing the stiffness of polymer ligands can promote their delivery across the membrane, particularly for larger cargoes. Furthermore, appropriately increasing the length of polymer ligands can be more conducive to assisting cargo to enter the lower layer of the membrane. Additionally, the distribution of polymer ligands on the surface of the cargo also plays a crucial role in its transport. Specifically, the one-fourth mode and stripy mode distributions of polymer ligands exhibited higher penetration ability, assisting cargoes in penetrating the membrane. These findings provide biomimetic inspiration for designing high-efficiency functionalization polymer ligands for drug/gene delivery.
摘要：
聚合物介导的药物/基因递送的表面官能化对疾病治疗具有巨大的潜力。然而,聚合物表面官能化的设计原理仍然难以捉摸。在这项研究中,我们采用计算机模拟来演示刚度，长度,密度,和聚合物配体的分布影响它们穿过细胞膜的渗透能力。我们的模拟表明，聚合物配体的刚度影响它们跨膜运输货物的能力。增加聚合物配体的刚度可以促进它们跨膜的递送，特别是对于较大的货物。此外，适当增加聚合物配体的长度可以更有利于协助货物进入膜的下层。此外,聚合物配体在货物表面的分布在其运输中也起着至关重要的作用。具体来说,聚合物配体的四分之一模式和条纹模式分布表现出更高的渗透能力，协助货物穿透膜。这些发现为设计用于药物/基因递送的高效功能化聚合物配体提供了仿生灵感。
