Determination of preferred conformations of brassinosteroids by means of NMR investigations and Boltzmann statistical analysis of simulated annealing calculations

Journal of Molecular Modeling

Volumn 7, Issue 4, 2001, Pages 34-42

  Drosihn, Susanne ^a   Porzel, Andrea ^a   Brandt, Wolfgang ^a  

^a MARTIN LUTHER UNIVERSITY HALLE WITTENBERG   (Germany)

Author keywords

Brassinosteroids; Conformation; NMR; Simulated annealing

Indexed keywords

BRASSINOSTEROID; PHYTOHORMONE;

ARTICLE; COMPUTER PROGRAM; CONFORMATION; CONTROLLED STUDY; HORMONE ACTION; INTERMETHOD COMPARISON; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; MOLECULAR MODEL; NUCLEAR MAGNETIC RESONANCE; NUCLEAR OVERHAUSER EFFECT; PRIORITY JOURNAL; STATISTICAL ANALYSIS; STRUCTURE ANALYSIS; X RAY ANALYSIS;

EID: 0035789448     PISSN: 16102940     EISSN: None     Source Type: Journal    
DOI: 10.1007/s008940100009     Document Type: Article

References (22)

1. Brassinosteroids - Chemistry, Bioactivity, Applications, ASC Symposium Series; Cutler, H. G., Yokota, T., Adam, G., Eds.; American Chemical Society, Washington DC 1991, p. 474.
2. Adam, G.; Porzel, A.; Schmidt, J.; Schneider, B.; Voigt, B. in Studies in Natural Products Chemistry; Atta-ur-Rahman, Ed.; Elsevier, Amsterdam 1996, p. 18.
3. Stoldt, M.; Porzel, A.; Adam G.; Brandt, W. Magn. Reson. Chem. 1997, 35, 629.
4. Drosihn, S.; Porzel, A.; Voigt, B.; Brandt, W.; Wagner, C.; Merzweiler, K.; Adam, G. J. Chem. Soc., Perkin Trans 2 1999, 233.
5. Brosa, C.; Zamora, I.; Terricabras, E.; Soca, L.; Peracaula, R.; Rodriguez-Santamarta, C. Lipids 1997, 32 (12), 1341.
6. Brosa, C.; Capdevila, J. M.; Zamora, I. Tetrahedron 1996, 52 (7), 2435.
7. Brosa, C.; Soca, L.; Terricabras, E. unpublished results, see Ref. 8.
8. Brosa, C.; Zamora, I.; Terricabras, E.; Kohout, L. Collect. Czech. Chem. Commun. 1998, 63, 1635.
9. Yokota, T.; Mori, K.; Eds. Bohl, M.; Duax, W. L. Mol. Struct. Biol. Act. Steroids, CRC Boca Raton, Florida, 1992, 317.
10. Seto, H.; Fujioka, S.; Koshino, H.; Yoshida, S. Tetrahedron 1999, 55, 8352.
11. Borgias, B. A.; James, T. L. J. Magn. Reson. 1990, 87, 475.
12. Borgias, B. A.; Gochin, M.; Kerwood, D. J.; James, T. L. Prog. Nucl. Magn. Reson. Spectrosc. 1990, 22, 83.
13. Liu, H.; Thomas, P. D.; James, T. L. J. Magn. Reson. 1992, 98, 163.
14. Clark, M.; Cramer, R. D. III.; van Opdenbosch, N. J. Comput. Chem. 1989, 10, 982.
15. Powell, M. J. D. Math. Programming 1977, 21, 241.
16. Gasteiger, J.; Marsili, M. Tetrahedron 1980, 36, 3219.
17. Gasteiger, J.; Saller, H. Angew. Chemie 1980, 97, 699.
18. Lichtblau, D. Ph.D. Thesis, Martin Luther University Halle 1999.
19. Porzel, A.; Marquardt, V.; Adam, G.; Massiot, G.; Zeigan, D. Magn. Reson. Chem. 1992, 30, 651.
20. Porzel, A.; Drosihn, S.; Brandt, W.; Voigt, B.; Wagner, C.; Merzweiler, K.; Adam, G. J. Chem. Soc., Perkin Trans 2 2000, submitted.
21. Kutschabsky, L.; Adam, G.; Vorbrodt, M. Z. Chem. 1990, 30 (4), 136.
22. Voigt, B.; Porzel, A.; Bruhn, C.; Wagner, C.; Merzweiler, K.; Adam, G. Tetrahedron 1997, 53 (50), 17039.