Molecular dynamics simulation studies of lipid bilayer systems

Acta Biochimica Polonica

Volumn 47, Issue 3, 2000, Pages 601-611

  Pasenkiewicz Gierula, Marta ^a   Murzyn, Krzysztof ^a   Róg, Tomasz ^a   Czaplewski, Cezary ^b  

^a JAGIELLONIAN UNIVERSITY   (Poland)

^b UNIVERSITY OF GDA SK   (Poland)

Author keywords

Cholesterol; Magainin 2; Molecular dynamics simulations; Phosphatidylcholine; Phosphatidylethanolamine; Phosphatidylglycerol; Vasopressin receptor

Indexed keywords

BACTERIA (MICROORGANISMS);

ANTIMICROBIAL CATIONIC PEPTIDE; CHOLESTEROL; MAGAININ 2 PEPTIDE, XENOPUS; MEMBRANE PROTEIN; PHOSPHATIDYLCHOLINE; WATER; XENOPUS PROTEIN;

ANIMAL; BACTERIUM; CHEMICAL STRUCTURE; CHEMISTRY; DRUG EFFECT; IN VITRO STUDY; LIPID BILAYER; REVIEW; THERMODYNAMICS;

ANIMALS; ANTIMICROBIAL CATIONIC PEPTIDES; BACTERIA; CHOLESTEROL; LIPID BILAYERS; MEMBRANE PROTEINS; MODELS, MOLECULAR; PHOSPHATIDYLCHOLINES; THERMODYNAMICS; WATER; XENOPUS PROTEINS;

EID: 0034576964     PISSN: 0001527X     EISSN: None     Source Type: Journal    
DOI: 10.18388/abp.2000_3982     Document Type: Review

References (27)

1. Bloom, M. & Mouritsen, O.G. (1995) The evolution of membranes; in Structure and Dynamics of Membranes (Lipowsky, R. & Sackmann, E., eds.) pp. 65-95, Elsevier, Amsterdam.
2. Borle, F. & Seelig, J. (1983) Hydration of Escherichia coli lipids. Deuterium T1 relaxation time studies of phosphatidylglycerol, phosphatidylethanolamine and phosphatidylcholine. Biochim. Biophys. Acta 735, 131-136.
3. Czaplewski, C., Kazmierkiewicz, R. & Ciarkowski, J. (1998) Molecular modeling of the human vasopressin V2 receptor/agonist complex. J. Comp.-Aided Mol. Design 12, 275-287.
4. Czaplewski, C., Pasenkiewicz-Gierula, M. & Ciarkowski, J. (1999a) Molecular dynamics of a vasopressin V2 receptor in a phospholipid bilayer membrane. J. Rec. Signal Tranduction Res. 19, 355-367.
5. Czaplewski, C., Pasenkiewicz-Gierula, M. & Ciarkowski, J. (1999b) G protein-coupled receptor-bioligand interaction modeled in a phospholipid bilayer. Int. J. Quantum Chem. 73, 61-70.
6. Gorter, E. & Grendel, F. (1925) On bimolecular layers of lipoids on the chromocytes of the blood. J. Exp. Med. 41, 439-443.
7. Hyslop, P., Morel, B. & Sauerneber, R. (1990) Organization and interaction of cholesterol and phosphatidylcholine in model bilayer membrane. Biochemistry 29, 1025-1038.
8. Kraulis, P. (1991) MolScript: A program to produce both detailed and schematic plots of proteins. J. Appl. Cryst. 24, 946-950.
9. Kusumi, A., Tsuda, M., Akino, T., Ohnishi, S. & Terayama, Y. (1983) Protein-phospholipidcholesterol interaction in the photolysis of invertebrate rhodopsin. Biochemistry 22, 1165-1170.
10. Meraldi, J.P. & Schlitter, J. (1981) A statistical mechanical treatment of fatty acyl chain order in phospholipid bilayers and correlation with experimental data. Biochim. Biophys. Acta 183, 193-210.
11. Merritt, E.A. & Bacon, D.J. (1997) Raster3D: Photorealistic molecular graphics. Methods Enzymol. 277, 505-524.
12. Murzyn, K. & Pasenkiewicz-Gierula, M. (1999) Construction and optimisation of a computer model for a bacterial membrane. Acta Biochim. Polon. 46, 631-639.
13. Nagle, J. (1993) Area/lipid of bilayers from NMR. Biophys. J. 64, 1476-1481.
14. Pasenkiewicz-Gierula, M., Takaoka, Y., Miyagawa, H., Kitamura, K. & Kusumi, A. (1997) Hydrogen bonding of water to phosphatidylcholine in the membrane as studied by a molecular dynamics simulation: Location, geometry, and lipid-lipid bridging via hydrogen-bonded water. J. Phys. Chem. 101, 3677-3691.
15. Pasenkiewicz-Gierula, M., Takaoka, Y., Miyagawa, H., Kitamura, K. & Kusumi, A. (1999) Charge pairing of headgroups in phosphatidylcholine membranes. A molecular dynamics simulation study. Biophys. J. 76, 1228-1240.
16. Pasenkiewicz-Gierula, M., Róg, T., Kitamura, K. & Kusumi, A. (2000) Cholesterol effects on the phosphatidylcholine bilayer polar region: A molecular simulation study. Biophys. J. 78, 1376-1389.
17. Rand, R. & Parsegian, V. (1989) Hydration forces between phospholipid bilayers. Biochim. Biophys. Acta 988, 351-376.
18. Róg, T. (2000) Cholesterol effects on the structure and the dynamics of phospholipid bilayers - molecular dynamics simulation studies. PhD Dissertation, Jagiellonian University, Kraków, Poland (in Polish).
19. Sackmann, E. (1995) Biological membranes architecture and function; in Structure and Dynamics of Membranes (Lipowsky, R. & Sackmann, E., eds.) pp. 1-64, Elsevier, Amsterdam.
20. Saberwal, G. & Nagaraj, R. (1994) Cell-lytic and J antibacterial peptides that act by perturbing the barrier function of membranes: Facets of their conformational features, structure-function correlation and membrane-perturbing abilities. Biochim. Biophys. Acta 1197, 109-131.
21. Smaby, J.M., Momsen, M., Brockman, H. & Brown, R. (1997) Phosphatidylcholine acyl unsaturation modulates the decrease in the interfacial elasticity induced by cholesterol. Biophys. J. 73, 1492-1505.
22. Subczynski, W.K., Wisniewska, A., Yin, J.-J., Hyde, J.S. & Kusumi, A. (1994) Hydrophobic barriers of lipid bilayer membranes formed by reduction of water penetration by alkyl chain unsaturation and cholesterol. Biochemistry 33, 7670-7681.
23. Tuchtenhagen, J., Ziegler, W. & Blume, A. (1994) Acyl chain conformational ordering in liquid-crystalline bilayers: Comparative FT-IR and 2H-NMR studies of phospholipids differing in headgroup structure and chain length. Eur. Biophys. J. 23, 323-335.
24. Unger, V.M. & Schertier, G.F.X. (1995) Low resolution structure of bovine rhodopsin determined by electron cryo-microscopy. Biophys. J. 68, 1776-1786.
25. Volke, F., Eisenblätter, S., Galle, J. & Klose, G. (1994) Dynamic properties of water at phosphatidylcholine lipid-bilayer surface as seen by deuterium and pules field gradient proton NMR. Chem. Phys. Lipids 70, 121-131.
26. Wenk, M.R. & Seelig, J. (1998) Magainin 2 amide interaction with lipid membrane: Calorimetric detection of peptide binding and pore formation. Biochemistry 37, 3909-3916.
27. Wieprecht, T., Beyermann, M. & Seelig, J. (1999) Binding of antibacterial magainin peptide to electrically neutral membranes: Thermodynamics and structure. Biochemistry 38, 10377-10387.