Abstract
Background: Dissipative particle dynamics (DPD) is a simulation method that has one of its applications in the field of pharmaceutical science and drug delivery.
Objective: DPD is employed to study morphology and some other characteristics of polymeric nanomicelles. Two systems were considered in this study: system A which includes curcumin, Polycaprolactone (PCL), Polyethylene glycol (PEG) and water beads and system B which includes paclitaxel, Polylactic acid (PLA), PEG and water beads. Method: In this study we focused on the simulation of drug entrapment in polymeric micelles using DPD method. Results: Results indicated that the qualitative comparison of polymeric-micelles with different compositions, after carefully tuning input parameters and simulation conditions, can be successfully performed using DPD. Conclusion: Considering real state of a system for DPD simulation will have a great impact on the reliability of the simulation results.Keywords: Coarse-graining, DPD, drug entrapment efficiency, mesoscale, molecular dynamics, polymeric micelle.
Graphical Abstract
Call for Papers in Thematic Issues
Polymeric nanocarriers in drug delivery
Polymeric nanocarriers play a crucial role in drug delivery due to their versatility, and unique properties for targeting and modifying drug release. Their ability to enhance therapeutic outcomes, reduce side effects, and enable the delivery of drugs in a more targeted and controlled manner made them popular in the last ...read more
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