A Molecular Dynamics Simulation Study on Drug-Loaded Thermo-Responsive Micelles Based on PNIPAAM-b-PLA Copolymers ThroughMicrofludic and Bulk Methods

In this study, the effects of self-assembly on polymeric micelles using the microfluidic (MF)technique, and temperature on their size and compactness were investigated and compared with bulkmethod. Additionally, the drug release behavior of docetaxel (DTX)-loaded micelles was studied toachieve controlled and targeted drug delivery systems in cancer therapy via all-atom moleculardynamics simulations. In this regard, the self-assembly of thermo-responsive micelles, based on poly(N-isopropylacrylamide-b-lauryl acrylate) copolymer was simulated at three temperatures byemploying two different approaches, involving MF and bulk. The simulation results, comprising theradius of gyration and mean-square displacement, showed efficient DTX loading and releaseperformance through MF technique.

کلیدواژه ها:

Molecular dynamics ، Micelle ، Self-assembly ، Microfluidic ، Thermo-responsiveness ، Drug delivery