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

Mai, Thi Ly; Derreumaux, Philippe; Nguyen, Phuong H.

doi:10.1021/acs.jpcb.3c05112

Cited by 4 publications

(2 citation statements)

References 82 publications

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“…However, it should be noted that it cannot be one sheet to adsorb to membrane in a realistic situation, and instead, the C 3 N cluster (comprising several sheets) interacts with the membrane. Probably, the C 3 N cluster will cause the more robust influence to the entire structure of cell membrane in realistic situation, resembling graphene, which may leads to the severe damage of membrane elastic properties , and tension.…”

Section: Resultsmentioning

confidence: 99%

Molecular Dynamics Simulation of Nanometer-Sized Carbon Nitride Polyaniline (C₃N) Binding to Small Intestinal Epithelial Cell Membranes

Luo,

Gu,

Liao

et al. 2024

ACS Appl. Nano Mater.

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The interaction between nanomaterials and cell membranes is pivotal as it directly correlates to their cellular penetration and cytotoxicity. Among the diverse nanomaterials, carbon nitride polyaniline (C 3 N) has emerged as a promising candidate. However, the investigation of C 3 N's potential impact on the cell membrane has been largely overlooked. In particular, the abundant glycosphingolipids in realistic human cell membranes are frequently disregarded. In this study, employing a molecular dynamics (MD) simulation approach, we scrutinize the interaction between nanometer-sized C 3 N nanosheet and small intestinal epithelial cell (SIEC) membrane, with a primary focus on the influence of glycosphingolipids. Our MD results elucidate two prevalent binding patterns between C 3 N and the SIEC membrane: insertion and cover patterns. In the insertion pattern, C 3 N vertically permeates the SIEC membrane, eventually becoming embedded within it. Conversely, in the cover pattern, C 3 N lies parallel to the SIEC membrane. Subsequent analysis reveals that these binding patterns are dictated by initial contact. Specifically, if the initial touch occurs at a corner of C 3 N, it will insert into the SIEC membrane, whereas if the initial contact takes place along the longer edge, C 3 N will cover the SIEC membrane. Moreover, our findings demonstrate that the presence of polysaccharide chains impedes the rapid insertion of C 3 N into the SIEC membrane. In comparison, the insertion of C 3 N into a pure POPC membrane occurs significantly faster than that into the SIEC membrane, further underscoring the significance of glycosphingolipids in decelerating the insertion of C 3 N. Free energy calculations also support this finding. Consequently, our study not only unveils the pivotal role of the initial touch in guiding the binding pattern between C 3 N and the SIEC membrane but also confirms the retarding effect of glycosphingolipids on the penetration of C 3 N into the membrane, representing a significant contribution to the understanding of the 2D nanomaterial−cell membrane interaction.

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Section: Resultsmentioning

confidence: 99%

Molecular Dynamics Simulation of Nanometer-Sized Carbon Nitride Polyaniline (C₃N) Binding to Small Intestinal Epithelial Cell Membranes

Luo,

Gu,

Liao

et al. 2024

ACS Appl. Nano Mater.

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“…An elevated CL concentration increases the lateral diffusion of lipids, affecting the mitochondria membrane composition [25]. The increased dipole potential observed in the IMM can be attributed to its elevated CL content in contrast to the outer mitochondrial membrane (OMM) [26]. Thus, CL may play a crucial role in controlling the flux rate of protons and ions during ATP production.…”

Section: The Role Of Cardiolipin In Mitochondrial Membrane Integritymentioning

confidence: 99%

The Role of Cardiolipin in Mitochondrial Function and Neurodegenerative Diseases

Fuentes,

Morcillo

2024

Cells

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Cardiolipin (CL) is a mitochondria-exclusive phospholipid synthesized in the inner mitochondrial membrane. CL plays a key role in mitochondrial membranes, impacting a plethora of functions this organelle performs. Consequently, it is conceivable that abnormalities in the CL content, composition, and level of oxidation may negatively impact mitochondrial function and dynamics, with important implications in a variety of diseases. This review concentrates on papers published in recent years, combined with basic and underexplored research in CL. We capture new findings on its biological functions in the mitochondria, as well as its association with neurodegenerative diseases such as Alzheimer’s disease or Parkinson’s disease. Lastly, we explore the potential applications of CL as a biomarker and pharmacological target to mitigate mitochondrial dysfunction.

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Lys716 in the transmembrane domain of yeast mitofusin Fzo1 modulates anchoring and fusion

Versini,

Baaden,

Cavellini

et al. 2024

Structure

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

Cited by 4 publications

References 82 publications

Molecular Dynamics Simulation of Nanometer-Sized Carbon Nitride Polyaniline (C₃N) Binding to Small Intestinal Epithelial Cell Membranes

Molecular Dynamics Simulation of Nanometer-Sized Carbon Nitride Polyaniline (C₃N) Binding to Small Intestinal Epithelial Cell Membranes

The Role of Cardiolipin in Mitochondrial Function and Neurodegenerative Diseases

Lys716 in the transmembrane domain of yeast mitofusin Fzo1 modulates anchoring and fusion

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

Cited by 4 publications

References 82 publications

Molecular Dynamics Simulation of Nanometer-Sized Carbon Nitride Polyaniline (C3N) Binding to Small Intestinal Epithelial Cell Membranes

Molecular Dynamics Simulation of Nanometer-Sized Carbon Nitride Polyaniline (C3N) Binding to Small Intestinal Epithelial Cell Membranes

The Role of Cardiolipin in Mitochondrial Function and Neurodegenerative Diseases

Lys716 in the transmembrane domain of yeast mitofusin Fzo1 modulates anchoring and fusion

Contact Info

Product

Resources

About

Molecular Dynamics Simulation of Nanometer-Sized Carbon Nitride Polyaniline (C₃N) Binding to Small Intestinal Epithelial Cell Membranes

Molecular Dynamics Simulation of Nanometer-Sized Carbon Nitride Polyaniline (C₃N) Binding to Small Intestinal Epithelial Cell Membranes