Molecular Dynamics Simulation of Lipid Nanoparticles Encapsulating mRNA.

ABSTRACT: mRNA vaccines have shown great potential in responding to emerging infectious diseases, with their efficacy and stability largely dependent on the delivery vehicles-lipid nanoparticles (LNPs). This study aims to explore the mechanisms by which LNPs encapsulate mRNA, as well as the effects of different N/P ratios and acid types in nucleic acid solutions on the structure and properties of LNPs, using the ethanol solvent injection method as the encapsulation technique. Six systems were designed, based on the composition and proportions of the existing mRNA vaccine mRNA-1273, and molecular dynamics (MD) simulations were employed to investigate the self-assembly process of LNPs. Ethanol was used as a solvent instead of pure water to better mimic experimental conditions. The results indicate tha

SUBMITTER: Zhang Z 

PROVIDER: S-EPMC11433737 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature