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Molecular Dynamics Analysis of Cardiolipin and Monolysocardiolipin on Bilayer Properties
- Source :
- Biophysical journal. 114(9)
- Publication Year :
- 2017
-
Abstract
- The mitochondrial lipid cardiolipin (CL) contributes to the spatial protein organization and morphological character of the inner mitochondrial membrane. Monolysocardiolipin (MLCL), an intermediate species in the CL remodeling pathway, is enriched in the multisystem disease Barth syndrome. Despite the medical relevance of MLCL, a detailed molecular description that elucidates the structural and dynamic differences between CL and MLCL has not been conducted. To this end, we performed comparative atomistic molecular dynamics studies on bilayers consisting of pure CL or MLCL to elucidate similarities and differences in their molecular and bulk bilayer properties. We describe differential headgroup dynamics and hydrogen bonding patterns between the CL variants and show an increased cohesiveness of MLCL's solvent interfacial region, which may have implications for protein interactions. Finally, using the coarse-grained Martini model, we show that substitution of MLCL for CL in bilayers mimicking mitochondrial composition induces drastic differences in bilayer mechanical properties and curvature-dependent partitioning behavior. Together, the results of this work reveal differences between CL and MLCL at the molecular and mesoscopic levels that may underpin the pathomechanisms of defects in cardiolipin remodeling.
- Subjects :
- 0301 basic medicine
Membranes
Chemistry
Hydrogen bond
Cardiolipins
Monolysocardiolipin
Bilayer
Lipid Bilayers
Biophysics
Molecular Conformation
Barth syndrome
Molecular Dynamics Simulation
medicine.disease
Protein–protein interaction
03 medical and health sciences
chemistry.chemical_compound
Molecular dynamics
030104 developmental biology
Cardiolipin
medicine
Lysophospholipids
Inner mitochondrial membrane
Subjects
Details
- ISSN :
- 15420086
- Volume :
- 114
- Issue :
- 9
- Database :
- OpenAIRE
- Journal :
- Biophysical journal
- Accession number :
- edsair.doi.dedup.....146a327555b8a3288aaf53883dfbd7fe