ArticleThe journal of physical chemistry. B2007
Molecular dynamics simulations of ternary membrane mixture: phosphatidylcholine, phosphatidic acid, and cholesterol.
Article in The journal of physical chemistry. B, 2007. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
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Who cites it
15 citing papers in PubMed.
- Modulation of a rapid neurotransmitter receptor-ion channel by membrane lipids.Frontiers in cell and developmental biology · 2023Review
- Simple Does Not Mean Trivial: Behavior of Phosphatidic Acid in Lipid Mono- and Bilayers.International journal of molecular sciences · 2021Article
- Boundary lipids of the nicotinic acetylcholine receptor: Spontaneous partitioning via coarse-grained molecular dynamics simulation.Biochimica et biophysica acta. Biomembranes · 2019Article
- Binding of β-amyloid (1-42) peptide to negatively charged phospholipid membranes in the liquid-ordered state: modeling and experimental studies.Biophysical journal · 2012Article
- Cannabinoids suppress inflammatory and neuropathic pain by targeting α3 glycine receptors.The Journal of experimental medicine · 2012Article
- The role of structured water in mediating general anesthetic action on alpha4beta2 nAChR.Physical chemistry chemical physics : PCCP · 2010Article
- Unresponsive correlated motion in alpha7 nAChR to halothane binding explains its functional insensitivity to volatile anesthetics.The journal of physical chemistry. B · 2010Article
- Higher susceptibility to halothane modulation in open- than in closed-channel alpha4beta2 nAChR revealed by molecular dynamics simulations.The journal of physical chemistry. B · 2010Article
- General anesthetic binding to neuronal alpha4beta2 nicotinic acetylcholine receptor and its effects on global dynamics.The journal of physical chemistry. B · 2009Article
- Anionic lipid and cholesterol interactions with alpha4beta2 nAChR: insights from MD simulations.The journal of physical chemistry. B · 2009Article
- Release of 11-cis-retinal from cellular retinaldehyde-binding protein by acidic lipids.Molecular vision · 2009Article
- Behavioral differences between phosphatidic acid and phosphatidylcholine in the presence of the nicotinic acetylcholine receptor.Biophysical journal · 2008Article
- In silico models for the human alpha4beta2 nicotinic acetylcholine receptor.The journal of physical chemistry. B · 2008Article
- Examining the contributions of lipid shape and headgroup charge on bilayer behavior.Biophysical journal · 2008Article
- Lipid-modulation of membrane insertion and refolding of the apoptotic inhibitor Bcl-xL.Biochimica et biophysica acta. Proteins and proteomicsArticle
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5 authors.
Funding
Abstract
A ternary mixture of 1-palmitoyl-2-oleoyl phosphatidylcholine (POPC), 1-palmitoyl-2-oleoyl phosphatidic acid (POPA), and cholesterol (CHOL) works effectively for a functional conformation of nicotinic acetylcholine receptor (nAChR) that can undergo agonist-induced conformation changes, but POPC alone can stabilize only a desensitized state of nAChR. To gain insights into the lipid mixture that has strong impact to nAChR functions, we performed more than 50 ns all atom molecular dynamic (MD) simulations at 303 K on a fully hydrated bilayer consisting of 240 POPC, 80 POPA, and 80 CHOL (3:1:1). The MD simulation revealed various interactions between different types of molecular pairs that ultimately regulated lipid organization. The heterogeneous interactions among three different constituents resulted in a broad spectrum of lipid properties, including extensive distributions of average area per lipid and varied lipid ordering as a function of lipid closeness to CHOL. Higher percentage of POPA than POPC had close association with CHOL, which coincided with relatively higher ordering of POPA molecules in their acyl chains near lipid head groups. Lower fraction of gauche dihedrals was also found in the same region of POPA. Although the CHOL molecules had the effects on the enhancement of surrounding lipid order, relatively low lipid order parameters and high fraction of gauche bonds were observed in the ternary mixture. Collectively, these results suggest that the dynamical structure of the ternary system could be determinant for a functional nAChR.
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