Structure and Elasticity of Mitochondrial Membranes: A Molecular Dynamics Simulation Study - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Journal of Physical Chemistry B Année : 2023

Structure and Elasticity of Mitochondrial Membranes: A Molecular Dynamics Simulation Study

Thi Ly Mai
Philippe Derreumaux
Phuong H Nguyen

Résumé

Mitochondria are known as the powerhouse of the cell because they produce energy in the form of ATP. They also have other crucial functions such as regulating apoptosis, calcium homeostasis, and reactive oxygen species production. To carry out these diverse functions, mitochondria adopt specific structures and frequently undergo dynamic shape changes, indicating that their mechanical properties play an essential role in their functions. To gain a detailed understanding at the molecular level of the structure and mechanical properties of mitochondria, we carry out atomistic molecular dynamics simulations for three inner mitochondrial membrane and three outer mitochondrial membrane models. These models take into account variations in cardiolipin and cholesterol concentrations, as well as the symmetry/asymmetry between the two leaflets. Our simulations allow us to calculate various structural quantities and the bending, twist, and tilt elastic moduli of the membrane models. Our results indicate that the structure of the inner and outer mitochondrial membranes is quite similar and does not depend much on the variation in lipid compositions. However, the bending modulus of the membranes increases with increasing concentrations of cardiolipin or cholesterol, but decreases with membrane asymmetry. Notably, we found that the dipole potential of the membrane increases with increasing cardiolipin concentration. Finally, possible roles of cardiolipin in regulating ion and proton currents and maintaining the cristate are discussed in some details.
Fichier principal
Vignette du fichier
MITO.pdf (1.94 Mo) Télécharger le fichier
Origine : Fichiers produits par l'(les) auteur(s)

Dates et versions

hal-04338565 , version 1 (12-12-2023)

Identifiants

Citer

Thi Ly Mai, Philippe Derreumaux, Phuong H Nguyen. Structure and Elasticity of Mitochondrial Membranes: A Molecular Dynamics Simulation Study. Journal of Physical Chemistry B, In press, ⟨10.1021/acs.jpcb.3c05112⟩. ⟨hal-04338565⟩
4 Consultations
67 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More