Abstract
The interaction of a PEGylated and non-PEGylated Fe3O4 nanoparticle drug-delivery system, with 5-fluorouracil (5-FU) as the chemotherapy drug, is investigated via atomistic molecular dynamics (MD). The induced pore formation in a dipalmitoylphosphatidylcholine (DPPC) bilayer phospholipid (BLPL) is studied, and the resulting hourglass-shaped pores with hydrophilic lipid headgroups lining the pores are observed. Furthermore, we optimize the required number of ligands that are required to allow for the formed pores to spontaneously reseal. Additionally, the number of water molecules that transverse through the water bridge is investigated. These results may be useful to design nanocarrier systems that will maintain the cellular osmotic pressure and stability, while the 5-FU is converted to the required metabolites inside the cell to serve its purpose as a chemotherapeutic drug.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
