Berlin 2024 – scientific programme

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BP: Fachverband Biologische Physik

BP 8: Poster Session Ia

BP 8.28: Poster

Monday, March 18, 2024, 18:00–20:30, Poster C

Molecular Dynamics Simulations as a tool to investigate the impact of imidazole-based cholesterol in lipid bilayers — •Clara Rickhoff, Azadeh Alavizargar, and Andreas Heuer — Institut für Physikalische Chemie, Universität Münster, Münster, Germany

Cholesterol is an important component of plasma membranes in mammalian cells having a significant impact on their fluidity and structure. Experiments aiming at a deeper understanding of the effect of cholesterol are facing the difficulty of tracking this non-fluorescent component of lipid bilayers. In order to overcome this problem, different imidazole-based cholesterols were developed. These modifications allow to add different functionalities to the cholesterol analog without changing the backbone of cholesterol which is embedded in the membrane. [Matos et al, Commun Biol, 2021, 4, 720] In this work Molecular Dynamics simulations of the non-charged imidazole-based cholesterol analog were conducted. This molecule was previously synthesized in the Glorius group (University of Münster). Our simulations aim to investigate the impact of this cholesterol analog on the structure of lipid bilayers and on the stability of lipid rafts. The results of this study allow a more precise assessment of how accurate this analog mimics cholesterol in terms of order parameter, tilt angle and position within the bilayer also in comparison with the positively charged imidazolium-based cholesterol analog.

Keywords: Lipid Bilayers; MD Simulations; Cholesterol