Differential effects of cholesterol, ergosterol and lanosterol on a dipalmitoyl phosphatidylcholine membrane: a molecular dynamics simulation study.

No abstract is available for this paper.

• Publication year

  2007

• Venue

  Journal of Physical Chemistry B

• Publication date

  2007-01-30

• Fields of study

  Biology, Medicine, Chemistry

• Identifiers
  DOI 10.1021/JP065172IPMID 17261058
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• Comparative molecular dynamics study of lipid membranes containing cholesterol and ergosterol.

  2006cited by this paper
• Universal behavior of membranes with sterols.

  2006cited by this paper
• The diversity of the liquid ordered (Lo) phase of phosphatidylcholine/cholesterol membranes: a variable temperature multinuclear solid-state NMR and x-ray diffraction study.

  2006cited by this paper
• Characterization of the liquid-ordered state by proton MAS NMR.

  2006cited by this paper
• Diffusion of cholesterol and its precursors in lipid membranes studied by 1H pulsed field gradient magic angle spinning NMR.

  2005cited by this paper
• Modulating membrane properties: the effect of trehalose and cholesterol on a phospholipid bilayer.

  2005cited by this paper
• Determination of the orientation and dynamics of ergosterol in model membranes using uniform 13C labeling and dynamically averaged 13C chemical shift anisotropies as experimental restraints.

  2005cited by this paper
• Sterol structure determines miscibility versus melting transitions in lipid vesicles.

  2005cited by this paper
• Molecular structure of the lecithin ripple phase.

  2005cited by this paper
• The effect of ergosterol on dipalmitoylphosphatidylcholine bilayers: a deuterium NMR and calorimetric study.

  2005cited by this paper
• Desmosterol may replace cholesterol in lipid membranes.

  2005cited by this paper
• Elasticity and phase behavior of DPPC membrane modulated by cholesterol, ergosterol, and ethanol.

  2005cited by this paper
• Sterol structure determines the separation of phases and the curvature of the liquid-ordered phase in model membranes.

  2005cited by this paper
• A molecular dynamics study of the response of lipid bilayers and monolayers to trehalose.

  2005cited by this paper
• A molecular mechanics force field for biologically important sterols

  2005cited by this paper
• Bilayer thickness and thermal response of dimyristoylphosphatidylcholine unilamellar vesicles containing cholesterol, ergosterol and lanosterol: a small-angle neutron scattering study.

  2005cited by this paper
• Molecular dynamics simulations of phospholipid bilayers: Influence of artificial periodicity, system size, and simulation time.

  2005cited by this paper
• Complexation of phosphatidylcholine lipids with cholesterol.

  2004cited by this paper
• Simulations of a membrane-anchored peptide: structure, dynamics, and influence on bilayer properties.

  2004cited by this paper
• A Brownian dynamics study: the effect of a membrane environment on an electron transfer system.

  2004cited by this paper
• Influence of cholesterol and ergosterol on membrane dynamics: a fluorescence approach.

  2004cited by this paper
• Lanosterol and cholesterol-induced variations in bilayer elasticity probed by 2H NMR relaxation.

  2004cited by this paper
• Relationship between sterol/steroid structure and participation in ordered lipid domains (lipid rafts): implications for lipid raft structure and function.

  2004cited by this paper
• Molecular-level organization of saturated and polyunsaturated fatty acids in a phosphatidylcholine bilayer containing cholesterol.

  2004cited by this paper
• Comparative conformational analysis of cholesterol and ergosterol by molecular mechanics

  2004cited by this paper
• Sphingomyelin-cholesterol domains in phospholipid membranes: atomistic simulation.

  2004cited by this paper
• Molecular dynamics simulations of phospholipid bilayers with cholesterol.

  2003cited by this paper
• Role of cholesterol in lipid raft formation: lessons from lipid model systems.

  2003cited by this paper
• The effect of cholesterol on the lateral diffusion of phospholipids in oriented bilayers.

  2003cited by this paper
• Structure and pseudosymmetry of cholesterol at 310 K.

  2002cited by this paper
• Lipid bilayers, NMR relaxation, and computer simulations.

  2002cited by this paper
• Lateral diffusion of cholesterol and dimyristoylphosphatidylcholine in a lipid bilayer measured by pulsed field gradient NMR spectroscopy.

  2002cited by this paper
• From lanosterol to cholesterol: structural evolution and differential effects on lipid bilayers.

  2002cited by this paper
• Molecular dynamics simulations of lipid bilayers: major artifacts due to truncating electrostatic interactions.

  2002cited by this paper
• Conversion of raft associated prion protein to the protease‐resistant state requires insertion of PrP‐res (PrPSc) into contiguous membranes

  2002cited by this paper
• Cholesterol-induced modifications in lipid bilayers: a simulation study.

  2002cited by this paper
• Combined Monte Carlo and molecular dynamics simulation of hydrated lipid-cholesterol lipid bilayers at low cholesterol concentration.

  2001cited by this paper
• Condensed complexes and the calorimetry of cholesterol-phospholipid bilayers.

  2001cited by this paper
• Effect of the Structure of Natural Sterols and Sphingolipids on the Formation of Ordered Sphingolipid/Sterol Domains (Rafts)

  2001cited by this paper
• Molecular dynamics simulation of the structure of dimyristoylphosphatidylcholine bilayers with cholesterol, ergosterol, and lanosterol.

  2001cited by this paper
• Do sterols reduce proton and sodium leaks through lipid bilayers?

  2001cited by this paper
• Cholesterol effects on the phosphatidylcholine bilayer nonpolar region: a molecular simulation study.

  2001cited by this paper
• Condensed complexes, rafts, and the chemical activity of cholesterol in membranes.

  2000cited by this paper
• Structure of lipid bilayers.

  2000cited by this paper
• Atomic detail peptide-membrane interactions: molecular dynamics simulation of gramicidin S in a DMPC bilayer.

  2000cited by this paper
• Exploring models of the influenza A M2 channel: MD simulations in a phospholipid bilayer.

  2000cited by this paper
• Cholesterol effects on the phosphatidylcholine bilayer polar region: a molecular simulation study.

  2000cited by this paper
• Mesoscopic undulations and thickness fluctuations in lipid bilayers from molecular dynamics simulations.

  2000cited by this paper
• Lipid rafts and signal transduction

  2000cited by this paper
• The effect of sterol structure on membrane lipid domains reveals how cholesterol can induce lipid domain formation.

  2000cited by this paper
• Condensed complexes of cholesterol and phospholipids.

  1999cited by this paper
• Dynamical properties of phospholipid bilayers from computer simulation.

  1999cited by this paper
• Structure of dipalmitoylphosphatidylcholine/cholesterol bilayer at low and high cholesterol concentrations: molecular dynamics simulation.

  1999cited by this paper
• Combined Monte Carlo and molecular dynamics simulation of fully hydrated dioleyl and palmitoyl-oleyl phosphatidylcholine lipid bilayers.

  1999cited by this paper
• Molecular dynamics simulation of melittin in a dimyristoylphosphatidylcholine bilayer membrane.

  1998cited by this paper
• Constant-pressure molecular dynamics investigation of cholesterol effects in a dipalmitoylphosphatidylcholine bilayer.

  1998cited by this paper
• Phases and phase transitions of the phosphatidylcholines.

  1998cited by this paper
• Molecular properties of amphotericin B membrane channel: a molecular dynamics simulation.

  1997cited by this paper
• X-ray structure determination of fully hydrated L alpha phase dipalmitoylphosphatidylcholine bilayers.

  1996cited by this paper
• What is the surface tension of a lipid bilayer membrane?

  1996cited by this paper
• Biological Membranes

  1996cited by this paper
• On simulating lipid bilayers with an applied surface tension: periodic boundary conditions and undulations.

  1996cited by this paper
• Restatement of order parameters in biomembranes: calculation of C-C bond order parameters from C-D quadrupolar splittings.

  1995cited by this paper
• Incorporation of surface tension into molecular dynamics simulation of an interface: a fluid phase lipid bilayer membrane.

  1995cited by this paper
• Behavior of cholesterol and its effect on head group and chain conformations in lipid bilayers: a molecular dynamics study.

  1995cited by this paper
• Constant pressure and temperature molecular dynamics simulation of a fully hydrated liquid crystal phase dipalmitoylphosphatidylcholine bilayer.

  1995cited by this paper
• Molecular order and dynamics of phosphatidylcholine bilayer membranes in the presence of cholesterol, ergosterol and lanosterol: a comparative study using 2H-, 13C- and 31P-NMR spectroscopy.

  1995cited by this paper
• Measurement of chain tilt angle in fully hydrated bilayers of gel phase lecithins.

  1993cited by this paper
• Cholesterol in model membranes. A molecular dynamics simulation.

  1992cited by this paper
• Cholesterol in Membrane Models

  1992cited by this paper
• Lateral diffusion in the liquid phases of dimyristoylphosphatidylcholine/cholesterol lipid bilayers: a free volume analysis.

  1992cited by this paper
• CD2 rocking modes as quantitative infrared probes of one-, two-, and three-bond conformational disorder in dipalmitoylphosphatidylcholine and dipalmitoylphosphatidylcholine/cholesterol mixtures.

  1991cited by this paper
• Thermodynamics of thermal and athermal denaturation of gamma-crystallins: changes in conformational stability upon glutathione reaction.

  1990cited by this paper
• Modulation of phospholipid acyl chain order by cholesterol. A solid-state 2H nuclear magnetic resonance study.

  1990cited by this paper
• Quantitative determination of hydrocarbon chain conformational order in bilayers of saturated phosphatidylcholines of various chain lengths by Fourier transform infrared spectroscopy.

  1990cited by this paper
• Evidence for a direct role for sialic acid in the attachment of encephalomyocarditis virus to human erythrocytes.

  1990cited by this paper
• Phase equilibria of cholesterol/dipalmitoylphosphatidylcholine mixtures: 2H nuclear magnetic resonance and differential scanning calorimetry.

  1990cited by this paper
• Relationships between lipid membrane area, hydrophobic thickness, and acyl-chain orientational order. The effects of cholesterol.

  1990cited by this paper
• Structure of the fully hydrated gel phase of dipalmitoylphosphatidylcholine.

  1989cited by this paper
• Theory of thermal anomalies in the specific heat of lipid bilayers containing cholesterol.

  1989cited by this paper
• Structure of fully hydrated bilayer dispersions.

  1988cited by this paper
• Phase equilibria in the phosphatidylcholine-cholesterol system.

  1987cited by this paper
• Canonical dynamics: Equilibrium phase-space distributions.

  1985cited by this paper
• Critical role of ring structure in the differential uptake of cholesterol and plant sterols by membrane preparations in vitro.

  1983cited by this paper
• Protein-phospholipid-cholesterol interaction in the photolysis of invertebrate rhodopsin.

  1983cited by this paper
• Preferred conformation and molecular packing of phosphatidylethanolamine and phosphatidylcholine.

  1981cited by this paper
• Crystal structure of anhydrous cholesterol

  1977cited by this paper
• DISCUSSION PAPER: MOLECULAR STRUCTURES AND CONFORMATIONS OF THE PHOSPHOLIPIDS AND SPHINGOMYELINS *

  1972cited by this paper
• An Introduction to Statistical Thermodynamics

  1960cited by this paper

• Tracking the protein conformational motions driving HIV-1 membrane fusion

  2026cites this paper
• Unlocking the power of membrane biophysics: enhancing the study of antimicrobial peptides activity and selectivity

  2025cites this paper
• Organic Fluorophores for Studying Lipid Membrane Structures and Dynamics.

  2025cites this paper
• Ergosterol-Enriched Liposomes with Post-Processing Modifications for Serpylli Herba Polyphenol Delivery: Physicochemical, Stability and Antioxidant Assessment

  2025cites this paper
• How well do empirical molecular mechanics force fields model the cholesterol condensing effect?

  2025cites this paper
• Dual effect of cholesterol on interfacial water dynamics in lipid membranes: Interplay between membrane packing and hydration.

  2025cites this paper
• Sugar-based Cryoprotectants Stabilize Liposomal Vesicles by Exhibiting a Cholesterol-like Effect.

  2024cites this paper
• Mixing small proteins with lipids and cholesterol.

  2024cites this paper
• CYP5122A1 encodes an essential sterol C4-methyl oxidase in Leishmania donovani and determines the antileishmanial activity of antifungal azoles

  2024cites this paper
• Molecular and energetic analysis of the interaction and specificity of Maximin 3 with lipid membranes: In vitro and in silico assessments

  2024cites this paper
• Calcein release from DPPC liposomes by phospholipase A2 activity: Effect of cholesterol and amphipathic copolymers

  2024cites this paper
• Nonstereotypical Distribution and Effect of Ergosterol in Lipid Membranes.

  2024cites this paper
• Triggering the Amphotericin B Pore-Forming Activity by Phytochemicals

  2023cites this paper
• Serum levels of tumor necrosis factor (TNF)-α and vaginal gene expression of toll-like receptor 2 (TLR2) & microtubule-associated protein 1 light chain 3 (LC3) after treatment of vulvovaginal candidiasis with sertaconazole nitrate spanlastics

  2023cites this paper
• CYP5122A1 encodes an essential sterol C4-methyl oxidase in Leishmania donovani and determines the antileishmanial activity of antifungal azoles

  2023cites this paper
• The effects of molecular and nanoscopic additives on phospholipid membranes

  2023cites this paper
• Cholesterol, Eukaryotic Lipid Domains, and an Evolutionary Perspective of Transmembrane Signaling.

  2023cites this paper
• The Effects of the Nature of the Sterol on the Properties and Stability of Niosome Bilayer Vesicles

  2022cites this paper
• Endogenous Sterol Synthesis Is Dispensable for Trypanosoma cruzi Epimastigote Growth but Not Stress Tolerance

  2022cites this paper
• Mechanisms of Antifungal Properties of Metal Nanoparticles

  2022cites this paper
• A novel high-throughput screen for identifying lipids that stabilise membrane proteins in detergent based solution

  2021cites this paper
• Balancing de novo synthesis and salvage of lipids by Leishmania amastigotes.

  2021cites this paper
• Membrane thickness, lipid phase and sterol type are determining factors in the permeability of membranes to small solutes

  2021cites this paper
• Effect of Cholesterol Versus Ergosterol on DPPC Bilayer Properties: Insights from Atomistic Simulations.

  2021cites this paper
• Effects of cholesterol on chlorzoxazone translocation across POPC bilayer

  2021cites this paper
• Ultrafast excited state dynamics of provitamin D3 and analogs in solution and in lipid bilayers.

  2021cites this paper
• Computational and Experimental Approaches to Investigate Lipid Nanoparticles as Drug and Gene Delivery Systems.

  2020cites this paper
• Role of Xenosterols in Health and Disease

  2020cites this paper
• Interplay of cholesterol, membrane bilayers and the AT1R: A cholesterol consensus motif on AT1R is revealed

  2020cites this paper
• Effect of cholesterol vs. ergosterol on DPPC bilayer properties: insights from atomistic simulations

  2020influential citation
• The anti-fungal β-sitosterol targets the yeast oxysterol-binding protein Osh4.

  2020cites this paper
• The Lipophilicity of Coarse-Grained Cholesterol Models.

  2020cites this paper
• Biophysical characterization of the insertion of two potent antimicrobial peptides-Pin2 and its variant Pin2[GVG] in biological model membranes.

  2020cites this paper
• Lathosterol Oxidase (Sterol C-5 Desaturase) Deletion Confers Resistance to Amphotericin B and Sensitivity to Acidic Stress in Leishmania major

  2020cites this paper
• Effect of ergosterol on the interlamellar spacing of deuterated yeast phospholipid multilayers.

  2020cites this paper
• Effects of cholesterol vs. ergosterol on lipid membrane properties: insights from atomistic simulations

  2020influential citation
• Morphology and dynamics of domains in ergosterol or cholesterol containing membranes.

  2020cites this paper
• Biological Membrane Organization and Cellular Signaling.

  2019cites this paper
• Melting Temperature Dependent Interactions of Ergosterol with Unsaturated and Saturated Lipids in Model Membranes.

  2019cites this paper
• This review presents a domain-oriented view of the lateral organisation of the fungal plasma membrane, emphasizing on recent advances in the partitioning mechanisms of proteins into distinct compartments and their physiological significance.

  2019cites this paper
• Desenvolvimento de uma estratégia para a prospecção de fármacos inibidores da enzima esterol 24-C-metiltransferase (ERG6) de Leishmania spp

  2019cites this paper
• Role of non-electrostatic forces in antimicrobial potency of a dengue-virus derived fusion peptide VG16KRKP: Mechanistic insight into the interfacial peptide-lipid interactions.

  2019cites this paper
• Ergosterol-Induced Ordered Phase in Ternary Lipid Mixture Systems of Unsaturated and Saturated Phospholipid Membranes.

  2019cites this paper
• Alterations in the surface properties of sea spray aerosols introduced by the presence of sterols

  2019cites this paper
• Fungal Plasma Membrane Domains This review presents a domain-oriented view of the lateral organisation of the fungal plasma membrane, emphasizing on recent advances in the partitioning mechanisms of proteins into distinct compartments and their physiological significance

  2019cites this paper
• Equilibrium of phosphatidylcholine-ergosterol in monolayers at the air-water interface

  2019cites this paper
• Effect of 5-trans Isomer of Arachidonic Acid on Model Liposomal Membranes Studied by a Combined Simulation and Experimental Approach

  2018cites this paper
• Phase Diagram of a Stratum Corneum Lipid Mixture.

  2018cites this paper
• Sterol methyltransferase is required for optimal mitochondrial function and virulence in Leishmania major

  2018cites this paper
• Parameterization of a coarse-grained model of cholesterol with point-dipole electrostatics

  2018cites this paper
• Lipids and lipid domains of the yeast vacuole.

  2018cites this paper
• Cholesterol modulates the liposome membrane fluidity and permeability for a hydrophilic molecule.

  2018cites this paper
• Location of fluorescent probes (2'-hydroxy derivatives of 2,5-diaryl-1,3-oxazole) in lipid membrane studied by fluorescence spectroscopy and molecular dynamics simulation.

  2018cites this paper
• Two sterols, two bilayers: insights on membrane structure from molecular dynamics

  2017cites this paper
• Small molecules, both dietary and endogenous, influence the onset of lens cataracts.

  2017cites this paper
• Molecular dynamics simulations of ternary lipid bilayers containing plant sterol and glucosylceramide.

  2017cites this paper
• Effect of the presence of cholesterol in the interfacial microenvironment on the modulation of the alkaline phosphatase activity during in vitro mineralization.

  2017cites this paper
• Disrupting Hepatocyte Cyp51 from Cholesterol Synthesis Leads to Progressive Liver Injury in the Developing Mouse and Decreases RORC Signalling

  2017cites this paper
• Effects of Dipole Potential Modifiers on Heterogenic Lipid Bilayers

  2016cites this paper
• Structural organization of sterol molecules in DPPC bilayers: a coarse-grained molecular dynamics investigation.

  2016cites this paper
• DPPC-cholesterol phase diagram using coarse-grained Molecular Dynamics simulations.

  2016cites this paper
• A Universal Correlation Predicts Permeability Coefficients of Fluid- and Gel-Phase Phospholipid and Phospholipid-Cholesterol Bilayers for Arbitrary Solutes.

  2016cites this paper
• Comparative Study of the Condensing Effects of Ergosterol and Cholesterol.

  2016cites this paper
• Lipid polyunsaturation determines the extent of membrane structural changes induced by Amphotericin B in Pichia pastoris yeast.

  2015cites this paper
• Probing the importance of lipid diversity in cell membranes via molecular simulation.

  2015cites this paper
• Two types of syringomycin E channels in sphingomyelin-containing bilayers

  2015cites this paper
• Modifiers of membrane dipole potentials as tools for investigating ion channel formation and functioning.

  2015cites this paper
• Increased lanosterol turnover: a metabolic burden for daunorubicin-resistant leukemia cells

  2015cites this paper
• Ionizing Radiation Induces Structural and Functional Damage on the Molecules of Rat Brain Homogenate Membranes: A Fourier Transform Infrared (FT-IR) Spectroscopic Study

  2015cites this paper
• Stimulation of Na+,K+-ATPase Activity as a Possible Driving Force in Cholesterol Evolution

  2015cites this paper
• The Presence of Sterols Favors Sticholysin I-Membrane Association and Pore Formation Regardless of Their Ability to Form Laterally Segregated Domains.

  2015cites this paper
• Parameters for Martini sterols and hopanoids based on a virtual-site description.

  2015cites this paper
• Bioactive Structure of Membrane Lipids and Natural Products Elucidated by a Chemistry-Based Approach.

  2015cites this paper
• A Parameterization of Cholesterol for Mixed Lipid Bilayer Simulation within the Amber Lipid14 Force Field.

  2015cites this paper
• Subcellular Partitioning of Protein Tyrosine Phosphatase 1B to the Endoplasmic Reticulum and Mitochondria Depends Sensitively on the Composition of Its Tail Anchor

  2015cites this paper
• Phenotypic Analysis of NCR1, the Yeast Niemann Pick Type-C Disease Gene

  2015influential citation
• Recent Advances in Computational Simulations of Lipid Bilayer Based Molecular Systems

  2015cites this paper
• Effects of Cholesterol on the Thermodynamics and Kinetics of Passive Transport of Water through Lipid Membranes.

  2015cites this paper
• Cholesterol affects C₆₀ translocation across lipid bilayers.

  2014cites this paper
• Reinforcing the membrane-mediated mechanism of action of the anti-tuberculosis candidate drug thioridazine with molecular simulations

  2014cites this paper
• Characterization of the water defect at the HIV-1 gp41 membrane spanning domain in bilayers with and without cholesterol using molecular simulations.

  2014cites this paper
• Dynamics of Lipids, Cholesterol, and Transmembrane α-Helices from Microsecond Molecular Dynamics Simulations

  2014cites this paper
• The interaction of dipole modifiers with amphotericin-ergosterol complexes. Effects of phospholipid and sphingolipid membrane composition

  2014cites this paper
• Investigation of Channel-Forming Activity of Polyene Macrolide Antibiotics in Planar Lipid Bilayers in the Presence of Dipole Modifiers

  2014cites this paper
• Membrane Partitioning of Anionic, Ligand-Coated Nanoparticles Is Accompanied by Ligand Snorkeling, Local Disordering, and Cholesterol Depletion

  2014cites this paper
• Sterol Biosynthesis Is Required for Heat Resistance but Not Extracellular Survival in Leishmania

  2014cites this paper
• Sterols associated with small unilamellar vesicles (SUVs): intrinsic mobility role for 1H NMR detection

  2014cites this paper
• Preferred orientations of phosphoinositides in bilayers and their implications in protein recognition mechanisms.

  2014cites this paper
• The effects of cryosolvents on DOPC-β-sitosterol bilayers determined from molecular dynamics simulations.

  2013cites this paper
• Computer simulations of lipid membrane domains.

  2013cites this paper
• Journey to the Center of the Mitochondria Guided by the Tail Anchor of Protein Tyrosine Phosphatase 1B

  2013cites this paper
• Molecular origin of the antifungal action of Amphotericin B - computational approach

  2013cites this paper
• Citocromo P450 reductasas y metabolismo redox en Trypanosoma cruzi

  2013cites this paper
• Molecular dynamics simulations of mixed DOPC–β-sitosterol bilayers and their interactions with DMSO

  2013cites this paper
• Phloretin-Induced Reduction in Dipole Potential of Sterol-Containing Bilayers

  2013cites this paper
• ERG11-Mediated Azole Resistance in Candida albicans

  2013cites this paper
• The relative effect of sterols and hopanoids on lipid bilayers: when comparable is not identical.

  2013cites this paper
• Effect of dipole modifiers on the magnitude of the dipole potential of sterol-containing bilayers.

  2012cites this paper
• trans Arachidonic acid isomers inhibit NADPH-oxidase activity by direct interaction with enzyme components.

  2012cites this paper
• Benchmark studies using GPU accelaration for large-scale molecular dynamics simulations of the Arp 2 / 3 complex

  2012cites this paper