Click here to close
Hello! We notice that you are using Internet Explorer, which is not supported by Xenbase and may cause the site to display incorrectly.
We suggest using a current version of Chrome,
FireFox, or Safari.
Interactions of cationic-hydrophobic peptides with lipid bilayers: a Monte Carlo simulation method.
Shental-Bechor D
,
Haliloglu T
,
Ben-Tal N
.
???displayArticle.abstract???
We present a computational model of the interaction between hydrophobic cations, such as the antimicrobial peptide, Magainin2, and membranes that include anionic lipids. The peptide's amino acids were represented as two interaction sites: one corresponds to the backbone alpha-carbon and the other to the side chain. The membrane was represented as a hydrophobic profile, and its anionic nature was represented by a surface of smeared charges. Thus, the Coulombic interactions between the peptide and the membrane were calculated using the Gouy-Chapman theory that describes the electrostatic potential in the aqueous phase near the membrane. Peptide conformations and locations near the membrane, and changes in the membrane width, were sampled at random, using the Metropolis criterion, taking into account the underlying energetics. Simulations of the interactions of heptalysine and the hydrophobic-cationic peptide, Magainin2, with acidic membranes were used to calibrate the model. The calibrated model reproduced structural data and the membrane-association free energies that were measured also for other basic and hydrophobic-cationic peptides. Interestingly, amphipathic peptides, such as Magainin2, were found to adopt two main membrane-associated states. In the first, the peptide resided mostly outside the polar headgroups region. In the second, which was energetically more favorable, the peptide assumed an amphipathic-helix conformation, where its hydrophobic face was immersed in the hydrocarbon region of the membrane and the charged residues were in contact with the surface of smeared charges. This dual behavior provides a molecular interpretation of the available experimental data.
Bechinger,
Detergent-like actions of linear amphipathic cationic antimicrobial peptides.
2006, Pubmed
Bechinger,
Detergent-like actions of linear amphipathic cationic antimicrobial peptides.
2006,
Pubmed
Bechinger,
The structure, dynamics and orientation of antimicrobial peptides in membranes by multidimensional solid-state NMR spectroscopy.
1999,
Pubmed
,
Xenbase
Bechinger,
Detergent-like properties of magainin antibiotic peptides: a 31P solid-state NMR spectroscopy study.
2005,
Pubmed
Ben-Tal,
Binding of small basic peptides to membranes containing acidic lipids: theoretical models and experimental results.
1996,
Pubmed
Billeter,
Determination of the nuclear magnetic resonance solution structure of an Antennapedia homeodomain-DNA complex.
1993,
Pubmed
Boman,
Peptide antibiotics and their role in innate immunity.
1995,
Pubmed
Breukink,
Lipid II as a target for antibiotics.
2006,
Pubmed
Brown,
Cationic host defense (antimicrobial) peptides.
2006,
Pubmed
Chan,
Tryptophan- and arginine-rich antimicrobial peptides: structures and mechanisms of action.
2006,
Pubmed
Czajlik,
Investigation of penetratin peptides. Part 1. The environment dependent conformational properties of penetratin and two of its derivatives.
2002,
Pubmed
Gesell,
Two-dimensional 1H NMR experiments show that the 23-residue magainin antibiotic peptide is an alpha-helix in dodecylphosphocholine micelles, sodium dodecylsulfate micelles, and trifluoroethanol/water solution.
1997,
Pubmed
,
Xenbase
Haleva,
Increased concentration of polyvalent phospholipids in the adsorption domain of a charged protein.
2004,
Pubmed
Hallock,
MSI-78, an analogue of the magainin antimicrobial peptides, disrupts lipid bilayer structure via positive curvature strain.
2003,
Pubmed
,
Xenbase
Hancock,
A polybasic domain or palmitoylation is required in addition to the CAAX motif to localize p21ras to the plasma membrane.
1990,
Pubmed
Honig,
Stability of "salt bridges" in membrane proteins.
1984,
Pubmed
Huang,
Molecular mechanism of antimicrobial peptides: the origin of cooperativity.
2006,
Pubmed
Jenssen,
Peptide antimicrobial agents.
2006,
Pubmed
Kandasamy,
Effect of salt on the interactions of antimicrobial peptides with zwitterionic lipid bilayers.
2006,
Pubmed
Kessel,
Interactions of hydrophobic peptides with lipid bilayers: Monte Carlo simulations with M2delta.
2003,
Pubmed
Khandelia,
Driving engineering of novel antimicrobial peptides from simulations of peptide-micelle interactions.
2006,
Pubmed
Lazaridis,
Implicit solvent simulations of peptide interactions with anionic lipid membranes.
2005,
Pubmed
,
Xenbase
Matsuzaki,
Why and how are peptide-lipid interactions utilized for self-defense? Magainins and tachyplesins as archetypes.
1999,
Pubmed
,
Xenbase
Matsuzaki,
Relationship of membrane curvature to the formation of pores by magainin 2.
1998,
Pubmed
,
Xenbase
Matsuzaki,
Orientational and aggregational states of magainin 2 in phospholipid bilayers.
1994,
Pubmed
,
Xenbase
May,
Lipid demixing and protein-protein interactions in the adsorption of charged proteins on mixed membranes.
2000,
Pubmed
McLaughlin,
Plasma membrane phosphoinositide organization by protein electrostatics.
2005,
Pubmed
McLaughlin,
The electrostatic properties of membranes.
1989,
Pubmed
Nicolas,
Peptides as weapons against microorganisms in the chemical defense system of vertebrates.
1995,
Pubmed
Papo,
Exploring peptide membrane interaction using surface plasmon resonance: differentiation between pore formation versus membrane disruption by lytic peptides.
2003,
Pubmed
,
Xenbase
Persson,
Application of a novel analysis to measure the binding of the membrane-translocating peptide penetratin to negatively charged liposomes.
2003,
Pubmed
Scott,
Cutting edge: cationic antimicrobial peptides block the binding of lipopolysaccharide (LPS) to LPS binding protein.
2000,
Pubmed
Shai,
Mechanism of the binding, insertion and destabilization of phospholipid bilayer membranes by alpha-helical antimicrobial and cell non-selective membrane-lytic peptides.
1999,
Pubmed
,
Xenbase
Shental-Bechor,
Monte Carlo studies of folding, dynamics, and stability in alpha-helices.
2005,
Pubmed
Victor,
Location and dynamics of basic peptides at the membrane interface: electron paramagnetic resonance spectroscopy of tetramethyl-piperidine-N-oxyl-4-amino-4-carboxylic acid-labeled peptides.
2001,
Pubmed
White,
Membrane protein folding and stability: physical principles.
1999,
Pubmed
Wieprecht,
Peptide hydrophobicity controls the activity and selectivity of magainin 2 amide in interaction with membranes.
1997,
Pubmed
,
Xenbase
Wieprecht,
Binding of antibacterial magainin peptides to electrically neutral membranes: thermodynamics and structure.
1999,
Pubmed
,
Xenbase
Yang,
Crystallization of antimicrobial pores in membranes: magainin and protegrin.
2000,
Pubmed
,
Xenbase
Zasloff,
Antimicrobial peptides of multicellular organisms.
2002,
Pubmed
Zasloff,
Antimicrobial activity of synthetic magainin peptides and several analogues.
1988,
Pubmed
,
Xenbase
Zelezetsky,
Alpha-helical antimicrobial peptides--using a sequence template to guide structure-activity relationship studies.
2006,
Pubmed
Zemel,
Perturbation of a lipid membrane by amphipathic peptides and its role in pore formation.
2005,
Pubmed