Pharmacophore searching and QSAR analysis in the design of anticonvulsant drugs

Journal of Molecular Structure: THEOCHEM

Volumn 504, Issue 1-3, 2000, Pages 229-240

  Tasso, S M ^a   Bruno Blanch, L E ^a   Moon, S C ^a   Estiu G L ^b  

^a Depto Cie Biol   (Argentina)

^b Centro de Quimica Inorganica   (Argentina)

Author keywords

Anticonvulsant; Antiepileptic; Molecular modeling; Pharmacophore; QSAR; Valpromide

Indexed keywords

ANTICONVULSIVE AGENT; CARBAMAZEPINE; CARBONYL DERIVATIVE; ETHOSUXIMIDE; ETHOTOIN; MEPHENYTOIN; PHENOBARBITAL; PHENYTOIN; PRIMIDONE; VALPROMIDE;

ARTICLE; DRUG ACTIVITY; DRUG DESIGN; DRUG STRUCTURE; PHARMACOPHORE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS;

EID: 0034640722     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(00)00364-X     Document Type: Article

References (31)

1. Gram L. Epilepsia. 36:(Suppl. 6):1995;S22.
2. Wolff M.E. Burger's Medicinal Chemistry and Drug Discovery, Anticonvulsants. 1996;Wiley, New York. (chap. 39).
3. Wong M.G., Defina J.A., Andrews P.R. J. Med. Chem. 29:1986;562.
4. Lien E.J. J. Med. Chem. 13:1970;1189.
5. Lapszewics J., Lange J., Rump S., Walczyna K. Eur. J. Med. Chem. 13:1978;465.
6. Andrews P.R. J. Med. Chem. 12:1969;761.
7. Andrews P.R., Buchanan A.S. Biochem. Pharmacol. 20:1971;1599.
8. Plummer E.L., Lipkowitz K.B., Boyd D.B. Reviews in Computational Chemistry. 1990;VCH Publishers, New York. chap. 4.
9. Leo A.J. Chem. Rev. 93:1993;1281.
10. Dykstra C.E., Augspurger J.D., Kirtman B., Malik D.J. Lipkowitz K.B., Boyd D.B. Reviews in Computational Chemistry. 1990;VCH Publishers, New York. (chap. 3).
11. Martin Y.C., Bures M.G., Willett P. Lipkowitz K.B., Boyd D.B. Reviews in Computational Chemistry. 1990;VCH Publishers, New York. (chap. 6).
12. Levy R., Dreifuss F.E., Mattson R.H., Meldrum B.S., Penry J.K. Antiepileptic Drugs. 1989;Raven Press, New York.
13. Gladding G.D., Kupferberg H.J., Swinyard E.A. Frey H., Janz D. Handbook of Experimental Pharmacology. 1985;Springer, Berlin.
14. Porter R.J., Cereghino J.J., Gladding G.D., Hessie B.J., Kupferberg H.J., Scoville B., White B.G. Cleve. Clin. Quart. 51:1984;293.
15. Shek E., Murakami T., Nath C., Pop E., Bodor N. J. Pharm. Sci. 78:1989;837.
16. Ho B., Venkatarangan P.M., Cruse S.F., Hinko C.N., Andersen P.H., Crider A.M., Adloo A.A., Roane D.S., Stables J.P. Eur. J. Med. Chem. 33:1998;23.
17. Krall R.L., Penry J.K., White B.G., Kuperferberg H.J., Swinyard E.A. Epilepsia. 19:1978;409.
18. Litchfield J.T., Wilcoxon F.J. J. Pharm. Exp. Ther. 96:1949;99.
19. Estiú G. J. Mol. Struct. (Theochem). 401:1997;157.
20. Stewart J.J.P. Semiempirical Orbital Methods. Lipkowitz K.B., Boyd D.B. Reviews in Computational Chemistry. 1990;VCH Publishers, New York. (chap. 2).
21. Viswanadhan V.N., Ghose A.K., Revankar G.N., Robins R.K. J. Chem. Inf. Comput. Sci. 29:1989;163.
22. Ooi T., Oobatake M., Nemethy G., Scheraga H.A. Proc. Natl. Acad. Sci. USA. 84:1987;3086.
23. Hasel W., Hendrickson T.F., Still W.C. Tet. Comput. Meth. 1:1988;103.
24. Still W.C., Tempczyk A., Hawley R.C., Hendrickson T. J. Am. Chem. Soc. 112:1990;6127.
25. Bodor N., Gabanyi Z., Wong C. J. Am. Chem. Soc. 111:1989;3783.
26. Ghose A.K., Crippen G.M. J. Chem. Inf. Comput. Sci. 27:1987;21.
27. Miller K.J. J. Am. Chem. Soc. 112:1990;8533.
28. The program for the statistical analysis was kindly provided by Dr Hugo Kubinyi, BASF AG, FR Germany.
29. Tasso S., Bruno-Blanch L., Estiú G.L. Int. J. Quantum Chem. 28:1997;1107.
30. Topliss J.G., Edwards C. J. Med. Chem. 22:1979;1238.
31. Plummer E.L. Lipkowitz K.B., Boyd D.B. Reviews in Computational Chemistry. 1990;VCH Publishers, New York. (chap. 4).