Doxorubicin delivery via magnetic nanomicelles comprising from reduction-responsive poly(ethylene glycol)­b­poly(ε­caprolactone) (PEG-SS-PCL) and loaded with superparamagnetic iron oxide (SPIO) nanoparticles: Preparation, characterization and simulation.

Reduction-responsive biodegradable micelles were prepared by linking of poly(ethylene glycol) and poly(ε­caprolactone) with disulfide bond (PEG-SS-PCL) for co-delivery of superparamagnetic iron oxide (SPIO) nanoparticles (NPs) and an anticancer agent, doxorubicin (DOX). This amphiphilic diblock copolymer shows redox-responsive properties, which is arising from disulfide bonds throughout the main chain. The ability of these copolymers for self-assembly with oleic acid modified SPIONs can help to organize nanomicelles in aqueous solution. Doxorubicin (DOX) was loaded in the magnetic nanomicelles with a loading of 32%. Coarse-Grained Molecular Dynamics (CG-MD) simulation approach was exploited to reassure the construction of self-assembled PEG-PCL micelles in presence of oleic acid and water solvent while the hydrophobic and hydrophilic ratios of each block copolymer were equally chosen and each oleic acid was connected to Fe3O4 nanoparticles. Our results confirmed the stability, cytocompatibility, magnetic and redox-responsive properties for these self-assembled nanomicelles and revealed that the DOX-SPION-loaded reduction-sensitive nanomicelles could be used in drug targeting to the cancer cells.