Conformational properties of β-residue-containing oligopeptides in apolar solvent

Journal of Molecular Structure

Volumn 785, Issue 1-3, 2006, Pages 176-181

  Aschi, Massimiliano ^a   Mollica, Adriano ^b   Lucente, Gino ^b   Paradisi, Mario Paglialunga ^b   Mazza, Fernando ^a  

^a UNIVERSITY OF L'AQUILA   (Italy)

^b SAPIENZA UNIVERSITY OF ROME   (Italy)

Author keywords

Aminoacids; 1H NMR; Conformational analysis; Molecular Dynamics; Peptides

Indexed keywords

COMPUTER SIMULATION; CONFORMATIONS; MOLECULAR DYNAMICS;

Β-AMINOACIDS; 1H NMR; CONFORMATIONAL ANALYSIS;

AMINO ACIDS;

EID: 33644532888     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2005.10.009     Document Type: Article

References (39)

1. D. Seebach, and J.L. Matthews Chem. Commun. 1997 2015 2022
2. S.H. Gellman Acc. Chem. Res. 31 1998 173 180
3. K. Gademann, T. Hintermann, and J.V. Schreiber Curr. Med. Chem. 6 1999 905 925
4. W.F. De Grado, J.P. Schneider, and Y. Hamuro J. Pept. Res. 54 1999 206 217 (and references therein)
5. D.J. Hill, M.J. Mio, R.B. Prince, T.S. Hughes, and J.S. Moore Chem. Rev. 101 2001 3893 4011
6. F. Schumann, A. Muller, M. Koksch, G. Muller, and N. Sewald J. Am. Chem. Soc. 122 2000 12009 12010
7. K. Gademann, T. Kimmerlin, D. Hoyer, and D. Seebach J. Med. Chem. 44 2001 2460 2468
8. T. Kimmerlin, D. Seebach, and D. Hilvert Helv. Chim. Acta 85 2002 1812 1826
9. H.N. Gopi, R.S. Roy, S.R. Raghothama, I.L. Karle, and P. Balaram Helv. Chim. Acta 85 2002 3313 3330
10. S. Sagan, T. Milcent, R. Ponsinet, O. Convert, O. Tasseau, G. Chassaing, S. Lavielle, and O. Lequin Eur. J. Biochem. 270 2003 939 949
11. B.W. Gung, D. Zou, and Y. Miyahara Tetrahedron 56 2000 9739 9746
12. A. Romanelli, I. Garella, V. Menchise, R. Iacovino, M. Saviano, D. Montesarchio, C. Didierjean, P. Di Lello, F. Rossi, and E. Benedetti J. Pept. Sci. 7 2001 15 26
13. D. Seebach, S. Abele, J.V. Schreiber, B. Martinoni, A.K. Nussbaum, H. Schild, H. Schulz, H. Hennecke, R. Woessner, and F. Bitsch Chimia 52 1998 734 739
14. D.L. Steer, R.A. Lew, P. Perlmutter, A.J. Smith, and M.I. Aguilar J. Pept. Sci. 6 2000 470 477
15. J. Frackenpohl, P.I. Arvidsson, J.V. Schreiber, and D. Seebach ChemBioChem 2 2001 445 455
16. S. Cerrini, E. Gavuzzo, G. Lucente, F. Pinnen, and G. Zanotti Int. J. Pept. Protein Res. 34 1989 6 13
17. S. Cerrini, E. Gavuzzo, G. Lucente, G. Luisi, F. Pinnen, and L. Radics Int. J. Pept. Protein Res. 38 1991 289 297
18. V. Pavone, B. Di Blasio, A. Lombardi, C. Isernia, C. Pedone, E. Benedetti, G. Valle, M. Crisma, C. Toniolo, and R. Kishore J. Chem. Soc., Perkin Trans. 2 1992 1233 1237
19. V. Pavone, A. Lombardi, G. D'Auria, M. Saviano, F. Nastri, L. Paolillo, B. Di Blasio, and C. Pedone Biopolymers 32 1992 173 183
20. V. Pavone, A. Lombardi, M. Saviano, F. Nastri, R. Fattorusso, O. Maglio, C. Isernia, L. Paolillo, and C. Pedone Biopolymers 34 1994 1517 1526
21. A.K. Thakur, and R. Kishore J. Pept. Res. 57 2001 455 461
22. C. Giordano, G. Lucente, M. Nalli, G. Pagani Zecchini, M. Paglialunga Paradisi, K. Varani, and S. Spisani Farmaco 58 2003 1121 1130
23. C. Giordano, G. Lucente, A. Mollica, M. Nalli, G. Pagani Zecchini, M. Paglialunga Paradisi, E. Gavuzzo, F. Mazza, and S. Spisani J. Pept. Sci. 10 2004 510 523
24. Y.D. Wu, and D.P. Wang J. Am. Chem. Soc. 120 1988 13485 13493
25. S. Krauthauser, L.A. Christianson, D.R. Powell, and S.H. Gellmann J. Am. Chem. Soc. 119 1997 11719 11720
26. X. Daura, W.F. van Gunsteren, D. Rigo, B. Jaun, and D. Seebach Chem. Eur. J. 3 1997 1410 1415
27. X. Daura, B. Jaun, D. Seebach, W.F. van Gunsteren, and A. Mark J. Mol. Biol. 280 1998 925 932
28. W.F. van Gunsteren, S.R. Billeter, A.A. Eising, P.H. Hunenberger, P. Kruger, A.E. Mark, W.R.P. Scott, I.G. Tironi, Biomolecular Simulation: the Gromos96 Manual and User Guide, Hochschuleverlag AG an der ETH Zurich, 1996.
29. C.M. Breneman, and K.B. Wiberg J. Comp. Chem. 11 1990 361 367
30. M.W. Schmidt, K.K. Baldridge, J.A. Boatz, S.T. Elbert, M.S. Gordon, J.J. Jensen, S. Koseki, N. Matsunaga, K.A. Nguyen, S. Su, T.L. Windus, M. Dupuis, and J.A. Montgomery J. Comp. Chem. 14 1993 1347 1363
31. D.J. Evans, G.P. Morriss, in: Statistical Mechanics of Nonequilibrium Liquids, Academic Press, London, 1990.
32. T.A. Darden, D.M. York, and L.G. Pedersen J. Chem. Phys. 98 1993 10089 10092
33. B. Hess, H. Bekker, H.J.C. Berendsen, and J.G.E.M. Fraaije J. Comp. Chem. 18 1997 1463 1472
34. A. Amadei, G. Chillemi, M.A. Ceruso, A. Grottesi, and A. DiNola J. Chem. Phys. 112 2000 9 23
35. D. van der Spoel, A.R. van Buuren, H.J.C. Berendsen, Groingen Machine for Chemical Simulations, Department of Biophysical Chemistry, BIOSON Research Institute, Nijenborg 4 NL-9717 AG Groningen, 1994.
36. A. Amadei, A.B.M. Linssen, and H.J.C. Berendsen Proteins: Struct. Funct. Genet. 17 1993 412 425
37. C. Di Teodoro, M. Aschi, A. Amadei, D. Roccatano, F. Malatesta, and L. Ottaviano ChemPhysChem 6 2005 681
38. A standard deviation not larger than 7% was found for the all the torsion angles characterizing the minima I-IV of dipeptide 1 and not larger than 20% for the minima of the tripeptide 2.
39. E. Benedetti Biopolymers (Pept. Sci.) 40 1996 3 44