Fullerenes' Interactions with Plasma Membranes: Insight from the MD Simulations.

ABSTRACT: Understanding the interactions between carbon nanoparticles (CNPs) and biological membranes is critically important for applications of CNPs in biomedicine and toxicology. Due to the complexity and diversity of the systems, most molecular simulation studies have focused on the interactions of CNPs and single component bilayers. In this work, we performed coarse-grained molecular dynamic (CGMD) simulations to investigate the behaviors of fullerenes in the presence of multiple lipid components in the plasma membranes with varying fullerene concentrations. Our results reveal that fullerenes can spontaneously penetrate the plasma membrane. Interestingly, fullerenes prefer to locate themselves in the region of the highly unsaturated lipids that are enriched in the inner leaflet of the plasma me

SUBMITTER: Nisoh N 

PROVIDER: S-EPMC9138838 | biostudies-literature | 2022 Apr

REPOSITORIES: biostudies-literature