QSAR analysis of the structure-toxicity relationship of Aconitum and Delphinium diterpene alkaloids

Chemistry of Natural Compounds

Volumn 41, Issue 2, 2005, Pages 213-219

  Turabekova, M A ^a,b   Rasulev, B F ^b  

^a NATIONAL UNIVERSITY OF UZBEKISTAN   (Uzbekistan)

^b S Yu Yunusov Institute of the Chemistry of Plant Substances Uzbekistan Academy of Sciences   (Uzbekistan)

Author keywords

3D descriptors; Aconitum; Delphinium; Molecular descriptors; Physicochemical descriptors; QSAR; Toxicity

Indexed keywords

ACONITUM; DELPHINIUM;

EID: 23344451162     PISSN: 00093130     EISSN: 15738388     Source Type: Journal    
DOI: 10.1007/s10600-005-0113-z     Document Type: Article

References (34)

1. A. Ameri, Prog. Neurobiol., 56, 211 (1998).
2. F. N. Dzhakhangirov, M. N. Sultankhodzhaev, B. Tashkhodzhaev, and B. T. Salimov, Khim. Prir. Soedin., 254 (1997).
3. F. N. Dzhakhangirov, B. T. Salimov, I. A. Bessonova, and M. N. Sultankhodzhaev, Khim. Prir. Soedin., 841 (1995).
4. D. Y. Zhu, D. L. Bai, and X. C. Tang, Drug Dev. Res., 39, 147 (1996).
5. J. F. Heubach and A. Schule, Planta Med., 64, 22 (1998).
6. X. W. Wang and H. Xie, Drugs Future, 24, 877 (1999).
7. K. E. Panter, G. D. Manners, B. L. Stegelmeier, S. Lee, D. R. Gardner, M. H. Ralphs, J. A. Pfister, and L. F. James, Biochem. Syst. Ecol., 30, 113 (2002).
8. R. S. Siemion, M. F. Raisbek, J. W. Waggoner, M. A. Tidwell, and D. A. Sanchez, Vet. Human Toxicol., 34, 206 (1992).
9. M. A. Turabekova, B. F. Rasulev, and M. G. Levkovich, Internet Electronic Conference of Molecular Design, WWW, Nov. 29-Dec. 12, 2004, Paper No. 40 (www.biochempress.com/iecmd_2004.html).
10. A. M. Bello-Ramirez, J. Buendia-Orozco, and A. A. Nava-Ocampo, Fundam. Clin. Pharmacol., 17, 575 (2003).
11. A. M. Bello-Ramirez and A. A. Nava-Ocampo, Fundam. Clin. Pharmacol., 18, 157 (2004).
12. A. M. Bello-Ramirez and A. A. Nava-Ocampo, Fundam. Clin. Pharmacol., 18, 699 (2004).
13. T. Fujita, ed., QSAR and Drug Design: New Developments and Applications, Pharmacochemistry Library, Vol. 23, Elsevier, Amsterdam (1995), p. 493.
14. H. Kubinyi, G. Folkers, and Y. C. Martin, eds., 3D QSAR in Drug Design, Vol. III, Kluwer, Dordrecht, The Netherlands (2002), p. 352.
15. L. Davis, Handbook of Genetic Algorithms, Van Nostrand Reinhold, New York (1991), p. 385.
16. J. Devillers, ed., Genetic Algorithms in Molecular Modeling, Academic Press, London (1996), p. 327.
17. R. Leardi, R. Boggia, and M. Terrile, J. Chemom., 6, 267 (1992).
18. R. David and A. J. Hofinger, J. Chem. Inf. Comput. Sci., 34, 854 (1994).
19. K. Baumann, J. Anal. Chem., 18, 36 (1999).
20. R. M. Sweet and D. Eisenberg, J. Mol. Biol., 171, 479 (1983).
21. R. Todeschini and V. Consonni, DRAGON Software for the Calculation of Molecular Descriptors, web version 3.0 for Windows.
22. R. Todeschini and V. Consonni, Handbook of Molecular Descriptors, Wiley-VCH, Weinheim and New York (2000), p. 667.
23. A. R. Leach, Molecular Modelling, LONGMAN, B&Jo, Singapore (1999).
24. M. A. Turabekova and B. F. Rasulev, Molecules, 9, 1194 (2004).
25. M. C. Hemmer, V. Steinhauer, and J. Gasteiger, Vibrat. Spectr., 19, 151 (1999).
26. V. Consonni, R. Todeschini, and M. Pavan, J. Chem. Inf. Comput. Sci., 42, 682 (2002).
27. V. Consonni, R. Todeschini, M. Pavan, and P. Gramatica, J. Chem. Inf. Comput. Sci., 42, 693 (2002).
28. P. Ertl, B. Rohde, and P. Selzer, J. Med. Chem., 43, 3714 (2000).
29. J. Kelder, P. D. J. Grootenhuis, D. M. Bayada, L. P. C. Delbressine, and J.-P. Ploemen, Pharm. Res., 16, 1514 (1999).
30. D. E. Clark, J. Pharm. Sci., 88, 807 (1999).
31. D. E. Clark, J. Pharm. Sci., 88, 815 (1999).
32. M. T. D. Cronin and T. W. Schultz, J. Mol. Struct. (Theochem.), 622, 39 (2003).
33. Molecular Modeling Packet HyperChem 6.01 (HyperCube, Inc.), 2000.
34. D. B. de Oliveira and A. C. Gaudio, Quant. Struct.-Act. Relat., 19, 599 (2000).