Lipid-Protein Interactions in Compact and Expanded States of the Membrane Protein Prestin From Coarse-Grained Molecular Dynamics Simulations

Prestin is a membrane protein essential for amplifying sound in mammals by enabling the electromotility of outer hair cells in the cochlea. It adopts compact and expanded conformations, which may influence its interactions with surrounding lipids. We use coarse-grained molecular dynamics (CGMD) simulations with the Martini 2.2 force field to investigate potential differences in lipid-protein interactions between these two conformational states. A 100-microsecond simulation was performed in a complex lipid bilayer to assess how lipid composition, including cholesterol, might influence prestin’s conformational changes. While specific interaction patterns and lipid behavior are yet to be analyzed, our findings provide insight into how lipid environments vary between the compact and expanded states of prestin. These simulations will help shed light on lipid dynamics around prestin and contribute to a broader understanding of lipid-protein interactions in this system.