Molecular structure and QSAR study on antispasmodic activity of some xanthoxyline derivatives

Archiv der Pharmazie

Volumn 339, Issue 5, 2006, Pages 227-237

  Dos Santos, Rodrigo ^a   Kuhnen, Carlos Alberto ^a   Yunes, Rosendo Augusto ^a  

^a FEDERAL UNIVERSITY OF SANTA CATARINA   (Brazil)

Author keywords

Antispasmodic activity; HOMO LUMO orbitals; QSAR; Reactivity indices; Xanthoxyline derivatives

Indexed keywords

2 (BENZYLOXY) 4,6 DIMETHOXYACETOPHENONE; ACETOPHENONE DERIVATIVE; ACETYLCHOLINE; SPASMOLYTIC AGENT; UNCLASSIFIED DRUG; XANTHOXYLIN;

ARTICLE; BIOLOGICAL ACTIVITY; CHEMICAL STRUCTURE; DIPOLE; GUINEA PIG; ILEUM; MATHEMATICAL COMPUTING; NONHUMAN; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ACETOPHENONES; PARASYMPATHOLYTICS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 33744471971     PISSN: 03656233     EISSN: 15214184     Source Type: Journal    
DOI: 10.1002/ardp.200500192     Document Type: Article

References (24)

1. V. Cechinel Filho, O. G. Miguel, R. J. Nunes, J. B. Calixto, R. A. Yunes, J. Pharm. Sci. 1995, 84, 473-475.
2. J. B. Calixto, O. G. Miguel, R. A. Yunes, G. A. Era, Planta Med. 1990, 56, 31-335.
3. V. Cechinel Filho, R. J. Nunes, R. A. Yunes, J. B. Calixto, Quim. Nova 1993, 16, 189-191.
4. V. Cechinel Filho, Ph. D Thesis, UFSC-Florianópolis, SC, Brazil, 1995.
5. V. E. F. Heinzen, V. Cechinel Filho, R. A. Yunes, Il Farmaco 1999, 54, 125-129.
6. M. Karelson, V. Lobanov, A. R. Katritzky, Chem. Rev. 1996, 96, 1027-1043.
7. nd Ed., Raven Press, New York, USA, 1993.
8. L. B. Kier, L. H. Hall, Pharm. Res. 1990, 7, 801-807.
9. L. H. Hall, B. Mohney, L. B. Kier, J. Chem. Inf. Comput. Sci. 1991, 32, 76-82.
10. th Ed., Lippincott-Raven Publishers, Philadelphia, PA, USA, 1998, p. 974.
11. P. D. Armstrong, J. G. Cannon, J. P. Long, Nature 1968, 220, 65-66.
12. G. Nordvall, U. Hacksell, J. Med. Chem. 1993, 36, 967-976.
13. A. Nakayama, K. Hagiwara, S. Hashimoto, S. Shimoda, Quant. Struct.-Act. Relat. 1993, 12, 251-255.
14. Ö. Geban, H. Ertepinar, M. Yurtsever, S. Özden, F. Gümüs, Eur. J. Med. Chem. 1999, 34, 753-758.
15. D. B. de Oliveira, A. C. Gáudio, Quant. Struct.-Act. Relat. 2000, 29, 599-601.
16. Microcal™ Origin®, Release 6.0, Microcal Software, Inc., Northampton, MA, USA, 1999.
17. N. R. Draper, H. Smith in Applied Regression Analysis John Wiley & Sons, New York, NY, USA, 1966, p. 407.
18. R. A. Yunes, V. E. F. Heinzen, V. Cechinel Filho, M. Lazzarotto, Drug Research 2002, 52, 125-132.
19. M. J. S. Dewar, J. J. P. Stewart, E. G. Zocbisch, E. G. Healy, J. Am. Chem. Soc. 1985, 307, 3902-3909.
20. Spartan, version 5.0, Wavefunction Inc., Irvine, CA, USA, 1997.
21. R. Galeazzi, C. Marucchini, M. Orena, C. Zadra, Bioorg. Med. Chem. 2002, 10, 1019-1025.
22. R. Galeazzi, C. Marucchini, M. Orena, C. Zadra, J. Mol. Struct. (Theochem) 2003, 640, 191-200.
23. HyperChem™ Software package, version 6.01, Hypercube, Inc, Gainsville, FL, USA.
24. A. K. Ghose, G. N. Revankar, R. K. Robins, J. Chem. Inf. Comput Sci. 1989, 29, 163.