How cholesterol is distributed between monolayers in asymmetric lipid membranes

European Biophysics Journal

Volumn 41, Issue 12, 2012, Pages 1043-1054

  Yesylevskyy, Semen O ^a   Demchenko, Alexander P ^b  

^a INSTITUTE OF PHYSICS   (Ukraine)

^b PALLADIN INSTITUTE OF BIOCHEMISTRY   (Ukraine)

Author keywords

Asymmetric membranes; Cholesterol distribution; Coarse grained; Molecular dynamics

Indexed keywords

CHOLESTEROL; FATTY ACID; GLYCEROPHOSPHOLIPID; UNSATURATED FATTY ACID;

ARTICLE; CHEMISTRY; LIPID BILAYER; MOLECULAR DYNAMICS; STATIC ELECTRICITY;

CHOLESTEROL; FATTY ACIDS; FATTY ACIDS, UNSATURATED; GLYCEROPHOSPHOLIPIDS; LIPID BILAYERS; MOLECULAR DYNAMICS SIMULATION; STATIC ELECTRICITY;

EID: 84877055970     PISSN: 01757571     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00249-012-0863-z     Document Type: Article

References (38)

1. Ali MR, Cheng KH, Huang J (2007) Assess the nature of cholesterol-lipid interactions through the chemical potential of cholesterol in phosphatidylcholine bilayers. Proc Natl Acad Sci U S A 104:5372-5377
2. Bennett WFD, MacCallum JL, Hinner MJ, Marrink SJ, Tieleman DP (2009) Molecular view of cholesterol flip-flop and chemical potential in different membrane environments. J Am Chem Soc 131:12714-12720
3. Berkowitz ML (2009) Detailed molecular dynamics simulations of model biological membranes containing cholesterol. Biochim Biophys Acta 1788:86-96
4. Brasaemle DL, Robertson AD, Attie AD (1988) Transbilayer movement of cholesterol in the human erythrocyte membrane. J Lipid Res 29:481-489
5. Chiu SW, Jakobsson E, Mashl RJ, Scott HL (2002) Cholesterol-induced modifications in lipid bilayers: a simulation study. Biophys J 83:1842-1853
6. Contreras FX, Sanchez-Magraner L, Alonso A, Goni FM (2010) Transbilayer (flip-flop) lipid motion and lipid scrambling in membranes. FEBS Lett 584:1779-1786
7. Demchenko AP, Yesylevskyy SO (2009) Nanoscopic description of biomembrane electrostatics: results of molecular dynamics simulations and fluorescence probing. Chem Phys Lipids 160:63-84
8. Falck E, Patra M, Karttunen M, HyvTse Cyrillic signnen MT, Vattulainen I (2004) Lessons of slicing membranes: interplay of packing, free area, and lateral diffusion in phospholipid/cholesterol bilayers. Biophys J 87:1076-1091
9. Fisher KA (1976) Analysis of membrane halves: cholesterol. Proc Natl Acad Sci U S A 73:173-177
10. Garg S, Porcar L, Woodka AC, Butler PD, Perez-Salas U (2011) Noninvasive neutron scattering measurements reveal slower cholesterol transport in model lipid membranes. Biophys J 101:370-377
11. Gimpl G, Gehrig-Burger K (2011) Probes for studying cholesterol binding and cell biology. Steroids 76:216-231
12. Hale JE, Schroeder F (1982) Asymmetric transbilayer distribution of sterol across plasma membranes determined by fluorescence quenching of dehydroergosterol. Euro J Biochem 122:649-661
13. Hamilton JA (2003) Fast flip-flop of cholesterol and fatty acids in membranes: implications for membrane transport proteins. Curr Opin Lipidol 14:263-271
14. Hess B, Kutzner C, van der Spoel D, Lindahl E (2008) GROMACS 4: algorithms for highly efficient, load-balanced, and scalable molecular simulation. J Chem Theor Comp 4:435-447
15. Hofsäß C, Lindahl E, Edholm O (2003) Molecular dynamics simulations of phospholipid bilayers with cholesterol. Biophys J 84:2192-2206
16. Ikonen E (2008) Cellular cholesterol trafficking and compartmentalization. Nat Rev Mol Cell Biol 9:125-138
17. Kiessling V, Wan C, Tamm LK (2009) Domain coupling in asymmetric lipid bilayers. Biochim Biophys Acta 1788:64-71
18. Kučerka N, Perlmutter JD, Pan J, Tristram-Nagle S, Katsaras J, Sachs JN (2008) The Effect of cholesterol on short- and long-chain monounsaturated lipid bilayers as determined by molecular dynamics simulations and X-ray scattering. Biophys J 95:2792-2805
19. Lange Y, Steck TL (2008) Cholesterol homeostasis and the escape tendency (activity) of plasma membrane cholesterol. Prog Lipid Res 47:319-332
20. Lindahl E, Edholm O (2000) Mesoscopic undulations and thickness fluctuations in lipid bilayers from molecular dynamics simulations. Biophys J 79:426-433
21. Lopez CA, Rzepiela AJ, de Vries AH, Dijkhuizen L, Hunenberger PH, Marrink SJ (2009) Martini coarse-grained force field: extension to carbohydrates. J Chem Theory Comput 5:3195-3210
22. Marrink SJ, Mark AE (2001) Effect of undulations on surface tension in simulated bilayers. J Phys Chem B 105:6122-6127
23. Marrink SJ, de Vries AH, Mark AE (2004) Coarse grained model for semiquantitative lipid simulations. J Chem Phys 108:750-760
24. Marrink SJ, Risselada HJ, Yefimov S, Tieleman DP, de Vries AH (2007) The MARTINI force field: coarse grained model for biomolecular simulations. J Phys Chem B 111:7812-7824
25. Marrink SJ, de Vries AH, Harroun TA, Katsaras J, Wassall SR (2008) Cholesterol shows preference for the interior of polyunsaturated lipid membranes. J Am Chem Soc 130:10-11
26. Mondal M, Mesmin B, Mukherjee S, Maxfield FR (2009) Sterols are mainly in the cytoplasmic leaflet of the plasma membrane and the endocytic recycling compartment in CHO cells. Mol Biol Cell 20:581-588
27. Monticelli L, Kandasamy SK, Periole X, Larson RG, Tieleman DP, Marrink SJ (2008) The MARTINI coarse-grained force field: extension to proteins. J Chem Theory Comput 4:819-834
28. Niemelä PS, Ollila S, Hyvönen MT, Karttunen M, Vattulainen I (2007) Assessing the nature of lipid raft membranes. PLoS Comput Biol 3:e34
29. Ohvo-Rekila H, Ramstedt B, Leppimaki P, Slotte JP (2002) Cholesterol interactions with phospholipids in membranes. Prog Lipid Res 41:66-97
30. Poger D, Mark AE (2010) On the validation of molecular dynamics simulations of saturated and cis-monounsaturated phosphatidylcholine lipid bilayers: a comparison with experiment. J Chem Theory Comput 6:325-336
31. Radhakrishnan A, McConnell H (2005) Condensed complexes in vesicles containing cholesterol and phospholipids. Proc Natl Acad Sci U S A 102:12662-12666
32. Ramstedt B, Slotte JP (2002) Membrane properties of sphingomyelins. FEBS Lett 531:33-37
33. Róg T Pasenkiewicz-Gierula M Vattulainen I Karttunen M (2009) Ordering effects of cholesterol and its analogues. Biochimica et Biophysica Acta (BBA) - Biomembranes 1788 97-121
34. Steck TL, Ye J, Lange Y (2002) Probing red cell membrane cholesterol movement with cyclodextrin. Biophys J 83:2118-2125
35. van Meer G (2005) Cellular lipidomics. EMBO J 24:3159-3165
36. Waheed Q, Edholm O (2009) Undulation contributions to the area compressibility in lipid bilayer simulations. Biophys J 97:2754-2760
37. Yesylevskyy SO Pteros: fast and easy to use open-source C++ library for molecular analysis. J Comput Chem (2012) n/a-n/a
38. Zhang Z, Lu L, Berkowitz ML (2008) Energetics of cholesterol transfer between lipid bilayers. J Physi Chem B 112:3807-3811