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BP: Fachverband Biologische Physik

BP 16: Membranes and Vesicles II

BP 16.11: Talk

Wednesday, March 20, 2024, 12:15–12:30, H 0112

RNA adsorption dynamics onto membrane models for lipid nanoparticles — •Horacio V. Guzman — Departamento de Física Teórica de la Materia Condensada, Universidad Autónoma de Madrid, E-28049 Madrid, Spain

RNA is a functionally rich molecule with multilevel, hierarchical structures and complex dynamics in the presence of different substrates. Much remains to be elucidated in terms of the RNA conformations and specific molecular interactions that modulate its adsorption to lipid membranes. Lipid nanoparticles (LNPs) are particularly promising as mRNA delivery medium due to their remarkable ability to transport genetic material to targeted cells. Yet, the design of LNPs remains challenging, owing to poorly understood mechanisms and factors that modulate RNA and LNP adsorption to membranous substrates. In our study, we perform an exhaustive modeling exploration of the influence of membrane composition on the adsorption behavior and conformation of an RNA fragment. Our approach is based on all-atom molecular simulations, including five distinct membrane models with lipid composition selected from commercially available LNPs. The membrane models account for crucial variables, such as surface charge, topological features, unsaturation degree of the fatty acid tails, and cholesterol content. Our results elucidate RNA adsorption modes and associated membrane response. We characterize adsorption dynamics in light of structural analysis for RNA, reorganization of membrane surface charge, as well as changes in the hydrophilic/hydrophobic interactions, which bear profound implications for enhancing their stability.

Keywords: RNA adsorption; Molecular Dynamics; polymers structure; lipid nanoparticles; RNA dynamics