Effect of salt on the interactions of antimicrobial peptides with zwitterionic lipid bilayers

Biochimica et Biophysica Acta - Biomembranes

Volumn 1758, Issue 9, 2006, Pages 1274-1284

  Kandasamy, Senthil K ^a   Larson, Ronald G ^a  

^a UNIVERSITY OF MICHIGAN   (United States)

Author keywords

Antimicrobial peptide; Magainin; Molecular dynamics simulation; POPC; Salt

Indexed keywords

AMPHOLYTE; CHLORIDE ION; MAGAININ 2; OLEOYLPALMITOYLLECITHIN; PHOSPHATIDYLCHOLINE; POLYPEPTIDE ANTIBIOTIC AGENT; SODIUM CHLORIDE; SODIUM ION; UNCLASSIFIED DRUG;

ARTICLE; CONCENTRATION (PARAMETERS); DRUG BINDING; HYDROGEN BOND; LIPID BILAYER; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN BINDING;

AMINO ACID SEQUENCE; ANTI-INFECTIVE AGENTS; LIPID BILAYERS; MOLECULAR SEQUENCE DATA; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PEPTIDES; SODIUM CHLORIDE;

EID: 33748928807     PISSN: 00052736     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bbamem.2006.02.030     Document Type: Article

References (39)

1. Zasloff M. Antimicrobial peptides of multicellular organisms. Nature 415 (2002) 389-395
2. Matsuzaki K., Murase O., Fujii N., and Miyajima K. An antimicrobial peptide, magainin 2, Induced rapid flip-flop of phospholipids coupled with pore formation and peptide translocation. Biochemistry 35 (1996) 11361-11368
3. Matsuzaki K., Sugishita K., Harada M., Fujii N., and Miyajima K. Interactions of an antimicrobial peptide, magainin 2, with outer and inner membranes of gram-negative bacteria. Biochim. Biophys. Acta 1327 (1997) 119-130
4. Ludtke S.J., He K., Heller W.T., Harroun T.A., Yang L., and Huang H.W. Membrane pores induced by magainin. Biochemistry 35 (1996) 13723-13728
5. Unger T., Oren Z., and Shai Y. The Effect of cyclization of magainin 2 and melittin analogues on structure, function and model membrane interactions: Implication to their mode of action. Biochemistry 40 (2001) 6388-6397
6. Matsuzaki K., Harada M., Funakoshi S., Fujii N., and Miyajima K. Physicochemical determinants for the interactions of magainins 1 and 2 with acidic lipid bilayers. Biochim. Biophys. Acta 1063 (1991) 162-170
7. Lee I.H., Cho Y., and Lehrer R.I. Effects of pH and salinity on the antimicrobial properties of clavanins. Infect. Immun. 65 (1997) 2898-2903
8. Woolf T.B. Molecular dynamics simulations of individual a-helices of bacteriorhodopsin in dimyristoylphosphatidylcholine. II interaction energy analysis. Biophys. J. 74 (1998) 115-131
9. Berneche S., Nina M., and Roux B. Molecular dynamics simulation of melittin in a dimyristoylphosphatidylcholine bilayer membrane. Biophys. J. 75 (1998) 1603-1618
10. Bachar M., and Becker O.M. Melittin at a membrane/water interface: effects on water orientation and water penetration. J. Chem. Phys. 111 (1999) 8672-8685
11. Bachar M., and Becker O.M. Protein-induced membrane disorder: a molecular dynamics study of melittin in dipalmitoylphophstidylcholine bilayer. Biophys. J. 78 (2000) 1359-1375
12. Lensink M.F., Christiaens B., Vanderkerckhove J., Prochiantz A., and Rosseneu M. Penetratin-membrane association: W48/R52/W56 shield the peptide from the aqueous phase. Biophys. J. 88 (2005) 939-952
13. Pandit S.A., and Berkowitz M.L. Molecular dynamics simulation of dipalmitoylphosphatidylserine bilayer with Na+ counterions. Biophys. J. 82 (2002) 1818-1827
14. Pandit S.A., Bostick D., and Berkowitz M.L. Molecular dynamics simulations of a dipalmitoylphosphatidylcholine bilayer with NaCl. Biophys. J. 84 (2003) 3743-3750
15. Pandit S.A., Bostick D., and Berkowitz M.L. Mixed Bilayer containing dipalmitoylphosphatidylcholine and dipalmitoylphosphatidylserine: lipid complexation, ion binding and electrostatics. Biophys. J. 85 (2003) 3120-3131
16. Mukhopadhyay P., Monticelli L., and Tieleman D.P. Molecular dynamics simulations of a palmitoyl-oleoyl phosphatidylserine bilayer with Na+ counterions and NaCl. Biophys. J. 86 (2004) 1601-1609
17. Sachs J.N., Petrache H.I., and Woolf T.B. Interpretation of small angle X-ray measurements guided by molecular dynamics simulations of lipid bilayers. Chem. Phys. Lipids 126 (2003) 211-223
18. Sachs J.N., Nanda H., Petrache H.I., and Woolf T.B. Changes in phosphatidylcholine headgroup tilt and water order induced by monovalent salts: molecular dynamics simulations. Biophys. J. 86 (2004) 3772-3782
19. Böckmann R.A., Hac A., Heimburg T., and Grubmüller H. Effect of sodium chloride on a lipid bilayer. Biophys. J. 85 (2003) 1647-1655
20. Böckmann R.A., and Grubmüller H. Multistep Binding of divalent cations to phospholipid bilayers: a molecular dynamics study. Angew. Chem., Int. Ed. 43 (2004) 1021-1024
21. Gurtovenko A.A. Asymmetry of lipid bilayers induced by monovalent salt: atomistic molecular-dynamics study. J. Chem. Phys. 122 (2005) 244902
22. Kandasamy S.K., and Larson R.G. Binding and insertion of α-helical anti-microbial peptides in POPC bilayers studied by molecular dynamics simulations. Chem. Phys. Lipids 132 (2004) 113-132
23. Lindahl E., Hess B., and van der Spoel D. GROMACS 3.0: a package for molecular simulation and trajectory analysis. J. Mol . Model. 7 (2001) 306-317
24. Berger O., Edholm O., and Jahnig F. Molecular Dynamics simulations of a fluid bilayer of dipalmitoylphosphatidylcholine at full hydration, constant pressure and constant temperature. Biophys. J. 72 (1997) 2002-2013
25. Hess B., Bekker H., and Berendsen H.J.C. LINCS: a linear constraint solver for molecular simulations. J. Comput. Chem. 18 (1997) 1463-1472
26. Berendsen H.J.C., Postma J.P.M., van Gunsteren W.F., Dinola A., and Haak J.R. Molecular dynamics with coupling to an external bath. J. Chem. Phys. 81 (1984) 3684-3690
27. Essmann U., Perera L., Berkowitz M.L., Darden T., Lee H., and Pedersen L.G. A smooth particle mesh Ewald method. J. Chem. Phys. 103 (1995) 8577-8592
28. Patra M., Karttunen M., Hyvonen M.T., Falck E., Lindqvist P., and Vattulainen I. Molecular dynamics simulations of lipid bilayers: major artifacts due to truncating electrostatic interactions. Biophys. J. 84 (2003) 3636-3645
29. Shepherd C.M., Vogel H.J., and Tieleman D.P. Interactions of the designed antimicrobial peptide MB21 and truncated dermaseptin S3 with lipid bilayers: molecular dynamics simulations. Biochem. J. 370 (2003) 233-243
30. Faraldo-Gomez J.D., Smith G.R., and Sansom M.S.P. Setting up and optimization of membrane protein simulations. Eur. Biophys. J. Biophys. Lett. 3 (2002) 217-227
31. Zemel A., Ben-Shaul A., and May S. Membrane perturbation induced by interfacially adsorbed peptides. Biophys. J. 86 (2004) 3607-3619
32. Wimley W.C., and White S.H. Experimentally-determined interfacial hydrophobicity scale for proteins in membranes. Nat. Struct. Biol. 3 (1996) 842-848
33. Wimley W.C., and White S.H. Designing transmembrane alpha-helices that insert spontaneously. Biochemistry 39 (2000) 4432-4442
34. Nymeyer H., Woolf T.B., and Garcia A.E. Folding is not required for bilayer insertion: replica exchange simulations of an alpha-helical peptide with an explicit lipid bilayer. Proteins 59 (2005) 783-790
35. Im W., and Brooks C.L. Interfacial folding and membrane insertion of designed peptides studied by molecular dynamics simulations. Proc. Natl. Acad. Sci U. S. A. 102 (2005) 6771-6776
36. Ibragimova G.T., and Wade R.C. Importance of explicit salt ions for protein stability in molecular dynamics simulation. Biophys. J. 74 (1998) 2906-2911
37. Daggett V. Long timescale simulations. Curr. Opin. Struct. Biol. 10 (2000) 160-164
38. Gurtovenko A.A., Mietinnen M., Kartunen M., and Vattulainen I. Effect of monovalent salt on cationic lipid membranes as revealed by molecular dynamics simulations. J. Phys. Chem. B 109 (2005) 21126-21134
39. Patra M., and Kartunnen M. Systematic comparison of force fields for microscopic simulations of NaCl in aqueous solutions: diffusion, free energy of hydration and structural properties. J. Comp. Chem. 25 (2004) 678-689