Abstract
This paper discusses specific features of the interactions of small-diameter liposomes with the cytoplasmic membrane of endothelial cells using in silico methods. The movement pattern of the liposomal drug delivery system was modeled in accordance with the conditions of the near-wall layer of blood flow. Our simulation results show that the liposomes can become stuck in the intercellular gaps and even break down when the gap is reduced. Liposomes stuck in the gaps are capable of withstanding a shell deformation of ~15% with an increase in liposome energy by 26%. Critical deformation of the membrane gives an impetus to drug release from the liposome outward. We found that the liposomes moving in the near-wall layer of blood flow inevitably stick to the membrane. Liposome sticking on the membrane is accompanied by its gradual splicing with the membrane bilayer. This leads to a gradual drug release inside the cell.
Highlights
Advanced drug delivery molecular systems have numerous applications in various fields, especially in bio- and nanotechnologies [1,2,3,4]
We investigated the mechanical elasticity of the liposome during the movement in
We investigated the mechanical elasticity of the liposome during the movement in the the gap between endothelial cells
Summary
Advanced drug delivery molecular systems have numerous applications in various fields, especially in bio- and nanotechnologies [1,2,3,4]. Liposomes of this type penetrate through the gaps between endothelial cells and accumulate in the microenvironment of the tumor Another important area of liposome application is drug delivery to the brain. While computational simulations are contributing to significant progress in this area, some challenges remain, namely regarding the behavior of macromolecules and liposomes on the cell membrane, as well as the multi-scale nature of nano–bio interactions. These interactions can be evaluated using coarse-grained molecular dynamics (CGMD) simulations. The mechanism of liposome penetration through the cytoplasmic membrane is discussed
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