文献类型：期刊文献

英文题名：Interaction Pathways between Plasma Membrane and Block Copolymer Micelles

作者：Guan, Zhou[1];Wang, Liquan[1];Lin, Jiaping[1]

机构：[1]East China Univ Sci & Technol, Shanghai Key Lab Adv Polymer Mat, State Key Lab Bioreactor Engn, Key Lab Ultrafine Mat,Minist Educ,Sch Mat Sci & E, Shanghai 200237, Peoples R China

年份：2017

卷号：18

期号：3

起止页码：797

外文期刊名：BIOMACROMOLECULES

收录：;EI(收录号：20171103449058);WOS:【SCI-EXPANDED(收录号:WOS:000396379600014)】；

基金：This work was supported by the National Natural Science Foundation of China (51303055, 21234002, and 21474029). Support from Project of Shanghai Municipality (16520721900 and 14DZ2261205) is also appreciated.

语种：英文

外文关键词：Block copolymers - Chain length - Micelles - Chains - Hydrophobicity - Molecular biology - Molecular dynamics - Drug delivery - Stiffness

摘要：In this work, the interactions between block copolymer micelles (BCMs) and plasma membranes were investigated by performing coarse-grained molecular dynamics (CGMD) simulations. Different binding strengths between the BCMs and the membranes were tested, and four interaction pathways were discovered: attachment, semiendocytosis, endocytosis, and fusion. Endocytosis was the most efficient way for the BCMs to be taken up, and fusion could lead to cytotoxicity. Unlike rigid particles, deformation of the BCMs strongly affected the interaction pathways. We examined the effects of changing the aggregation number of the BCMs (N-agg), the chain length of the polymer (N-b), and the chain stiffness of the hydrophobic block (k(a)), and we learned that smaller N-agg and lower N-b could lead to weaker cellular uptake capacities, whereas larger N-agg and higher N-b gave rise to higher cytotoxicities. Moreover, a weaker chain stiffness of the hydrophobic block could be more favorable for obtaining BCMs with higher internalization efficacies and lower cytotoxicities. The results of these simulations could aid in the design of BCMs with desirable cellular internalization capacities and lower cytotoxicities. Such BCMs could be useful in drug-delivery systems.