Molecular Dynamics Simulation Study of PEG–PCL nanoparticles for BCNU delivery to treat glioblastoma

Abstract

Author(s): Sina Ramezani, Samira poulakchi Sabe, Zahra Jamalpoor

Glioblastoma, The most lethal form of brain cancer is characterized by rapid growth and invasion and poor survival of the patients. Despite advances in standard therapy, including surgical resection followed by radiation and chemotherapy, glioblastoma remains highly resistant to treatments. Thus, new approaches to design optimized therapies are needed. Poly(ethylene glycol)-poly(ε-caprolactone) (PEG-PCL) copolymers are synthetic biomedical materials with high biocompatibility, biodegradability, long circulating and enhanced drug accumulation at the site of action that are all suitable for long-term delivery. In this study, we carried out Molecular Dynamics simulation on PEG-PCL2 to investigate the ability of this nanoparticle as drug carrier for BCNU. Simulation results indicated that PEG-PCL2 aggregated and formed stable nanoparticles with the average radius of gyration of 2nm. Also plots represented that BCNU penetrated deep into the micelles. In conclusion, observations confirmed that the PEG-PCL nanoparticles have potentials to be used as BCNU delivery carriers.

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