Coarse-grained model for pegylated lipids: Effect of pegylation on the size and shape of self-assembled structures

Journal of Physical Chemistry B

Volumn 115, Issue 24, 2011, Pages 7830-7837

  Lee, Hwankyu ^a,b   Pastor, Richard W ^b  

^a Dankook University   (South Korea)

^b NATIONAL HEART LUNG AND BLOOD INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; EXPERIMENTS; GLYCOLS; GRAFTING (CHEMICAL); LIPOSOMES; MICELLES; PHOSPHOLIPIDS; POLYETHYLENE OXIDES; POLYETHYLENES; THERMOPLASTICS;

AGGREGATE SIZE; ALL-ATOM SIMULATIONS; BI-LAYER; BICELLES; COARSE GRAINED MODELS; COARSE-GRAINED FORCE FIELDS; DEGREE OF SEGREGATION; DIFFERENT SIZES; END-TO-END DISTANCES; EXPERIMENTAL DATA; LIPID ASSEMBLIES; MEMBRANE CURVATURE; PEGYLATED LIPIDS; PEGYLATION; PLANAR SURFACE; RELATIVE CONCENTRATION; SELF ASSEMBLED STRUCTURES; SELF-ASSEMBLED; SIZE AND SHAPE;

POLYETHYLENE GLYCOLS;

EID: 79959361250     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp2020148     Document Type: Article

References (55)

1. Lasic, D. D.; Needham, D. Chem. Rev. 1995, 95, 2601-2628
2. Bartlett, D. W.; Davis, M. E. Bioconjugate Chem. 2007, 18, 456-468
3. Bhadra, D.; Bhadra, S.; Jain, S.; Jain, N. K. Int. J. Pharm. 2003, 257, 111-124
4. Imura, Y.; Nishida, M.; Matsuzaki, K. Biochim. Biophys. Acta-Biomembr. 2007, 1768, 2578-2585
5. Imura, Y.; Nishida, M.; Ogawa, Y.; Takakura, Y.; Matsuzaki, K. Biochim. Biophys. Acta-Biomembr. 2007, 1768, 1160-1169
6. Kim, Y.; Klutz, A. M.; Jacobson, K. A. Bioconjugate Chem. 2008, 19, 1660-1672
7. Kojima, C.; Toi, Y.; Harada, A.; Kono, K. Bioconjugate Chem. 2007, 18, 663-670
8. Kojima, C.; Toi, Y.; Harada, A.; Kono, K. Bioconjugate Chem. 2008, 19, 2280-2284
9. Lai, S. K.; OHanlon, D. E.; Harrold, S.; Man, S. T.; Wang, Y. Y.; Cone, R.; Hanes, J. Proc. Natl. Acad. Sci. U.S.A. 2007, 104, 1482-1487
10. Steinmetz, N. F.; Manchester, M. Biomacromolecules 2009, 10, 784-792
11. Wang, W.; Xiong, W.; Wan, J. L.; Sun, X. H.; Xu, H. B.; Yang, X. L. Nanotechnology 2009, 20.
12. Yang, H.; Morris, J. J.; Lopina, S. T. J. Colloid Interface Sci. 2004, 273, 148-154
13. Fahmy, T. M.; Fong, P. M.; Park, J.; Constable, T.; Saltzman, W. M. AAPS J. 2007, 9, E171-E180
14. Harris, J. M.; Chess, R. B. Nat. Rev. Drug Discov. 2003, 2, 214-221
15. Harris, J. M.; Martin, N. E.; Modi, M. Clin. Pharmacokinet. 2001, 40, 539-551
16. Delgado, C.; Francis, G. E.; Fisher, D. Crit. Rev. Ther. Drug Carrier Syst. 1992, 9, 249-304
17. Roberts, M. J.; Bentley, M. D.; Harris, J. M. Adv. Drug Delivery Rev. 2002, 54, 459-476
18. Torchilin, V. P. Pharm. Res. 2007, 24, 1-16
19. Lundquist, A.; Wessman, P.; Rennie, A. R.; Edwards, K. Biochim. Biophys. Acta-Biomembr. 2008, 1778, 2210-2216
20. Despa, F.; Luo, J. T.; Li, J.; Duan, Y.; Lam, K. S. Phys. Chem. Chem. Phys. 2010, 12, 1589-1594
21. Shang, B. Z.; Wang, Z. W.; Larson, R. G. J. Phys. Chem. B 2009, 113, 15170-15180
22. Shang, B. Z.; Wang, Z. W.; Larson, R. G. J. Phys. Chem. B 2008, 112, 2888-2900
23. Shinoda, W.; DeVane, R.; Klein, M. L. J. Phys. Chem. B 2010, 114, 6836-6849
24. Risselada, H. J.; Marrink, S. J. Soft Matter 2009, 5, 4531-4541
25. Risselada, H. J.; Marrink, S. J. Phys. Chem. Chem. Phys. 2009, 11, 2056-2067
26. Lee, H.; de Vries, A. H.; Marrink, S. J.; Pastor, R. W. J. Phys. Chem. B 2009, 113, 13186-13194
27. Marrink, S. J.; de Vries, A. H.; Mark, A. E. J. Phys. Chem. B 2004, 108, 750-760
28. Marrink, S. J.; Risselada, H. J.; Yefimov, S.; Tieleman, D. P.; de Vries, A. H. J. Phys. Chem. B 2007, 111, 7812-7824
29. Brooks, B. R.; Brooks, C. L.; Mackerell, A. D.; Nilsson, L.; Petrella, R. J.; Roux, B.; Won, Y.; Archontis, G.; Bartels, C.; Boresch, S.; Caflisch, A.; Caves, L.; Cui, Q.; Dinner, A. R.; Feig, M.; Fischer, S.; Gao, J.; Hodoscek, M.; Im, W.; Kuczera, K.; Lazaridis, T.; Ma, J.; Ovchinnikov, V.; Paci, E.; Pastor, R. W.; Post, C. B.; Pu, J. Z.; Schaefer, M.; Tidor, B.; Venable, R. M.; Woodcock, H. L.; Wu, X.; Yang, W.; York, D. M.; Karplus, M. J. Comput. Chem. 2009, 30, 1545-1614
30. Lee, H.; Venable, R. M.; MacKerell, A. D.; Pastor, R. W. Biophys. J. 2008, 95, 1590-1599
31. Vorobyov, I.; Anisimov, V. M.; Greene, S.; Venable, R. M.; Moser, A.; Pastor, R. W.; MacKerell, A. D. J. Chem. Theory Comput. 2007, 3, 1120-1133
32. Klauda, J. B.; Venable, R. M.; Freites, J. A.; OConnor, J. W.; Tobias, D. J.; Mondragon-Ramirez, C.; Vorobyov, I.; MacKerell, A. D.; Pastor, R. W. J. Phys. Chem. B 2010, 114, 7830-7843
33. Darden, T.; York, D.; Pedersen, L. J. Chem. Phys. 1993, 98, 10089-10092
34. Nose, S.; Klein, M. L. J. Chem. Phys. 1983, 78, 6928-6939
35. Andersen, H. C. J. Chem. Phys. 1980, 72, 2384-2393
36. Hoover, W. G. Phys. Rev. A 1985, 31, 1695-1697
37. Srinivas, G.; Klein, M. L. Mol. Phys. 2004, 102, 883-889
38. Kenworthy, A. K.; Hristova, K.; Needham, D.; McIntosh, T. J. Biophys. J. 1995, 68, 1921-1936
39. Hansen, P. L.; Cohen, J. A.; Podgornik, R.; Parsegian, V. A. Biophys. J. 2003, 84, 350-355
40. de Gennes, P. G. Adv. Colloid Interface Sci. 1987, 27, 189-209
41. Hess, B.; Kutzner, C.; van der Spoel, D.; Lindahl, E. J. Chem. Theory Comput. 2008, 4, 435-447
42. Lindahl, E.; Hess, B.; van der Spoel, D. J. Mol. Model. 2001, 7, 306-317
43. Berendsen, H. J. C.; Postma, J. P. M.; van Gunsteren, W. F.; DiNola, A.; Haak, J. R. J. Chem. Phys. 1984, 81, 3684-3690
44. Marrink, S. J.; Risselada, J.; Mark, A. E. Chem. Phys. Lipids 2005, 135, 223-244
45. Koynova, R.; Caffrey, M. Biochim. Biophys. Acta-Rev. Biomembr. 1998, 1376, 91-145
46. Johnsson, M.; Edwards, K. Biophys. J. 2003, 85, 3839-3847
47. Cornell, B. A.; Fletcher, G. C.; Middlehurst, J.; Separovic, F. Biochim. Biophys. Acta 1982, 690, 15-19
48. Sandstrom, M. C.; Johansson, E.; Edwards, K. Biophys. Chem. 2008, 132, 97-103
49. Belsito, S.; Bartucci, R.; Sportelli, L. Biophys. Chem. 2001, 93, 11-22
50. Mazer, N. A.; Benedek, G. B.; Carey, M. C. Biochemistry 1980, 19, 601-615
51. Glover, K. J.; Whiles, J. A.; Wu, G. H.; Yu, N. J.; Deems, R.; Struppe, J. O.; Stark, R. E.; Komives, E. A.; Vold, R. R. Biophys. J. 2001, 81, 2163-2171
52. Daoud, M.; Cotton, J. P. J. Phys. 1982, 43, 531-538
53. Vagberg, L. J. M.; Cogan, K. A.; Gast, A. P. Macromolecules 1991, 24, 1670-1677
54. Johnsson, M.; Hansson, P.; Edwards, K. J. Phys. Chem. B 2001, 105, 8420-8430
55. Humphrey, W.; Dalke, A.; Schulten, K. J. Mol. Graphics 1996, 14, 33-38