Molecular Delivery into a Lipid Bilayer with a Single Shock Waves Using Molecular Dynamic Simulation

摘要

Cell permeabilization by shock waves may have application in gene therapy and anticancer drug delivery. In the present study we performed direct molecular dynamic (MD) simulation of the interaction of a single shock wave with a cell membrane to investigate the mechanism of the cell permeabilization. The shock wave was characterized by an impulse that was expressed with a velocity determined by the change in the momentum. The cell membrane was designed as a dipalmitoylphosphatidylcholine (DPPC) lipid bilayer placed between two layers of water molecules. The MD simulation determined the relationship between water penetration into the bilayer, the order parameter, the fluidity of each lipid molecule, and the intensity of impulse. These structural changes in the bilayer may be an important factor in the use of shock waves to produce transient membrane permeability.