Structure and conformation of HIV fusion inhibitor peptide T-1249 in presence of model membranes: A molecular dynamics study

Journal of Molecular Structure: THEOCHEM

Volumn 946, Issue 1-3, 2010, Pages 119-124

  Martins do Canto, A M T ^a   Palace Carvalho, A J ^a   Prates Ramalho, J P ^a   Loura, Luís M S ^b,c  

^a UNIVERSITY OF ÉVORA   (Portugal)

^b UNIVERSITY OF COIMBRA   (Portugal)

^c UNIVERSITY OF COIMBRA   (Portugal)

Author keywords

AIDS; Cholesterol; Lipid bilayer; Lipid peptide interaction; Molecular simulations; POPC

Indexed keywords

EID: 77649190922     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2009.12.010     Document Type: Article

References (39)

1. Weissenhorn W., Dessen A., Calder L.J., Harrison S.C., Skehel J.J., and Wiley D.C. Mol. Membr. Biol. 16 (1999) 3
2. Fuji G., Horvath S., Woodward S., Eiserling F., and Eisenberg D. Protein Sci. 1 (1992) 1454
3. Lawless M.K., Barney S., Guthrie K.I., Bucy T.B., Petteway Jr. S.R., and Merutka G. Biochemistry 35 (1996) 13697
4. Colman P.M., and Lawrence M.C. Nat. Rev. Mol. Cell. Biol. 4 (2003) 309
5. Lasky L.A., Nakamura G., Smith D.H., Fennie C., Shimasaki C., Patzer E., Berman P., Gregory T., and Capon D.J. Cell 50 (1987) 975
6. Dragic T., Litwin V., Allaway G.P., Martin S.R., Huang Y., Nagashima K.A., Cayanan C., Maddon P.J., Koup R.A., Moore J.P., and Paxton W.A. Nature 381 (1996) 667
7. Feng Y., Broder C.C., Kennedy P.E., and Berger E.A. Science 272 (1996) 872
8. Kliger Y., Aharoni A., Rapaport D., Jones P., Blumenthal R., and Shai Y. J. Biol. Chem. 272 (1997) 13496
9. Jiang S., Zhao Q., and Debnath A.K. Curr. Pharm. Des. 8 (2002) 563
10. Eron J.J., Gulick R.M., Bartlett J.A., Merigan T., Arduino R., Kilby J.M., Yangco B., Diers A., Drobnes C., DeMasi R., Greenberg M., Melby T., Raskino C., Rusnak P., Zhang Y., Spence R., and Miralles G.D. J. Infect. Dis. 189 (2004) 1075
11. Baldwin C.E., Sanders R.W., and Berkhout B. Curr. Med. Chem. 10 (2003) 1633
12. Cooley L.A., and Lewin S.R. J. Clin. Virol. 26 (2003) 121
13. Veiga A.S., Santos N.C., Loura L.M.S., Fedorov A., and Castanho M.A. J. Am. Chem Soc. 126 (2004) 14758
14. M.A. Thompson, ArgusLab 4.0.1, Planaria Software LLC, Seattle, WA, 2004.
15. Berendsen H.J.C., Postma J.P.M., van Gunsteren W.F., and Hermans J. In: Pullman B. (Ed). Intermolecular Forces (1981), D Reidel Publishing Company, Dordrecht 331-342
16. Bekker H., Berendsen H.J.C., Dijkstra E.J., Achterop S., van Drunen R., van der Spoel D., Sijbers A., Keegstra H., Reitsma B., and Renardus M.K.R. In: de Groot R.A., and Nadrchal J. (Eds). Physics Computing vol. 92 (1993), World Scientific, Singapore
17. van der Spoel D., Lindahl E., Hess B., Groenhof G., Mark A.E., and Berendsen H.J.C. J. Comput. Chem. 26 (2005) 1701
18. W.F. van Gunsteren, H.J.C. Berendsen, Gromos-87 Manual, Biomos BV Nijenborgh 4, 9747 AG Groningen, The Netherlands 1987.
19. van Buuren A.R., and Berendsen H.J.C. Biopolymers 33 (1993) 1159
20. van Buuren A.R., Marrink S.J., and Berendsen H.J.C. J. Phys. Chem. 97 (1993) 9206
21. van der Spoel D., van Buuren A.R., Tieleman D.P., and Berendsen H.J.C. J. Biomol. NMR 8 (1996) 229
22. Jorgensen W.L., Chandrasekhar J., Madura J.D., Impey R.W., and Klein M.L. J. Chem. Phys. 79 (1983) 926
23. Liu H., Müller-Plathe F., and van Gunsteren W.F. J. Am. Chem. Soc. 117 (1995) 4363
24. Höltje M., Förster T., Brandt B., Engels T., von Rybinski W., and Höltje H. Biochim. Biophys. Acta 1511 (2001) 156-167
25. Berendsen H.J.C., Postma J.P.M., van Gunsteren W.F., DiNola A., and Haak J.R. J. Chem. Phys. 81 (1984) 3684
26. Miyamoto S., and Kollman P.A. J. Comput. Chem. 13 (1992) 952
27. Hess B., Bekker H., Berendsen H.J.C., and Fraaije J.G.E.M. J. Comput. Chem. 18 (1997) 1463
28. Essman U., Perela L., Berkowitz M.L., Darden T., Lee H., and Pedersen L.G. J. Chem. Phys. 103 (1995) 8577
29. Kabsch W., and Sander C. Biopolymers 22 (1983) 2577
30. Sheats J.R., and McConnell H.M. Proc. Natl. Acad. Sci. USA 75 (1978) 4661
31. Feenstra K.A., Hess B., and Berendsen H.J.C. J. Comput. Chem. 20 (1999) 786
32. Lakowicz J.R. Principles of Fluorescence Spectroscopy. second ed. (1999), Kluwer/Plenum Press, Dordrecht/New York
33. Fernandes M.X., de la Torre J.G., and Castanho M.A.R.B. Anal. Biochem. 307 (2002) 1
34. Dwyer J.J., Wilson K.L., Davison D.K., Freel S.A., Jeedorff J.E., Wring S.A., Tvermoes N.A., Matthews T.J., Greenberg M.L., and Delmedico M.K. Proc. Natl. Acad. Sci. USA 104 (2007) 12772
35. Nishikawa H., Oishi S., Fujita M., Watanabe K., Tokiwa R., Ohno H., Kodama E., Izumi K., Kajiwara K., Naitoh T., Matsuoka M., Otaka A., and Fujii N. Bioorg. Med. Chem. 16 (2008) 9184
36. Oishi S., Ito S., Nishikawa H., Watanabe K., Tanaka M., Ohno H., Izumi K., Sakagami Y., Kodama E., Matsuoka M., and Fujii N. J. Med. Chem. 51 (2008) 388
37. Andrade M.A., Chacón P., Merelo J.J., and Morán F. Protein Eng. 6 (1993) 383
38. Merelo J.J., Andrade M.A., Prieto A., and Morán F. Neurocomputing 6 (1994) 443
39. Filippov A., Orädd G., and Lindblom G. Biophys. J. 84 (2003) 3079