QSAR and molecular modelling of catamphiphilic drugs able to modulate multidrug resistance in tumors

Quantitative Structure-Activity Relationships

Volumn 16, Issue 1, 1997, Pages 1-10

  Pajeva, Ilza K ^a   Wiese, Michael ^b  

^a BULGARIAN ACADEMY OF SCIENCES   (Bulgaria)

^b MARTIN LUTHER UNIVERSITY HALLE WITTENBERG   (Germany)

Author keywords

Catamphiphilic drugs; COMFA; Drug membrane interaction; Free Wilson model; Genetic algorithm; Molecular modelling; Multidrug resistance modifiers; Multiple linear regression; NMR analysis; QSAR; Thioxanthenes

Indexed keywords

CHAINS; COMPUTATIONAL CHEMISTRY; CONFORMATIONS; GENETIC ALGORITHMS; LIPID BILAYERS; MOLECULAR GRAPHICS; MOLECULAR MODELING; NITROGEN; QUANTUM CHEMISTRY;

CATAMPHIPHILIC DRUG; COMFA; DRUG-MEMBRANE INTERACTION; FREE-WILSON MODELS; MEMBRANE INTERACTIONS; MULTIDRUG RESISTANCE; MULTIDRUG RESISTANCE MODIFIER; MULTIPLE LINEAR REGRESSIONS; NMR ANALYSIS; QSAR; THIOXANTHENE;

MULTIPLE LINEAR REGRESSION;

FLUPENTIXOL; PHENOTHIAZINE DERIVATIVE;

ARTICLE; DRUG CONFORMATION; LIPID BILAYER; MOLECULAR MODEL; MULTIDRUG RESISTANCE; PRIORITY JOURNAL; PROTON NUCLEAR MAGNETIC RESONANCE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; TUMOR RESISTANCE;

EID: 0030898431     PISSN: 09318771     EISSN: None     Source Type: Journal    
DOI: 10.1002/qsar.19970160102     Document Type: Article

References (32)

1. Kessel, D., Resistance to Antineoplastic Drugs, CRC Press, Boca Raton, Florida, 1989, pp. 1-166.
2. Ford, J.M. and Hait, W.N., Pharmacol. Rev. 42, 156-199 (1990).
3. Kellen, J.A., Anticancer Res. 13, 959-961 (1993).
4. Ford, J., Hematology/Oncology Clinics of North America 9 (2), 337-361 (1995).
5. Cornwell, M.M., Pastan, I. and Gottesman, M.M., in: Roninson, I.B. (Ed.) Molecular and Cellular Biology of Multidrug Resistance in Tumour Cells, Plenum, New York, London 1991, pp. 229-242.
6. Chambers, T., Zheng, B. and Kuo, J.K., Mol. Pharmacol. 41, 1008-1015 (1992).
7. Seydel, J.K., Coats, E.A., Cordes, H.-P. and Wiese, M., Arch. Pharm. 327, 601-610 (1994).
8. Pajeva, I.K., Wiese, M., Cordes, H.-P. and Seydel, J.K., J. Cancer Res. Clin. Onc. 122, 27-40 (1996).
9. Ford, J.M., Prozialeck, W.C. and Hait, W.N., Mol. Pharmacol. 35, 105-115 (1989).
10. Ford, J.M., Bruggeman, E.P., Pastan, I., Gottesmann, M. and Hait, W.N., Cancer Res. 50, 1748-1756 (1990).
11. Ramu, A., in: Kessel, D. (Ed.), Resistance to Antineoplastic Drugs, CRC, Boca Raton, Florida, 1989, pp. 63-80.
12. Ramu, A. and Ramu N., Cancer Chemother. Pharmacol. 30, 165-173.
13. Klopman, G., Srivastava, S., Kolossvary, I., Epand, R.F., Ahmed, N. and Epand, R.M., Cancer Res. 52, 4121-4129 (1992).
14. Liu, Q., Hirono, S. and Moriguchi, I., Chem. Pharm. Bull. 38, 2184-2189 (1990).
15. Sylte, I. and Dahl, S.G., Pharmaceut. Res. 8, 462-470 (1991).
16. Dahl, S.G., Edvardsen, O. and Sylte, I., Therapie 46, 453-459 (1991).
17. Dahl, S.G., Kollman, P.A., Rao, S.N. and Singh, U.C., J. Comp.-Aided Mol. Design 6, 207-222 (1992).
18. Froimowitz, M. and Cody, V., J. Med. Chem. 36, 2219-2227 (1993).
19. Horwitz, J.P., Massova, I., Wiese, T.E., Besler, B.H. and Corbett, T.H., J. Med. Chem. 37, 781-786 (1994).
20. Zamora, J.M., Pearce, H.L. and Beck, W.T., Mol. Pharmacol. 33, 454-462 (1988).
21. Pearce, H.L., Safa, A.R., Bach, N.J., Winter, M.A. and Cirtain, M.C., Proc. Natl. Acad. Sci. 86, 5128-5132 (1989).
22. Pearce, H.L., Winter, M.A. and Beck, W.T., Adv. Enzyme Regulations 30, 357-373 (1990).
23. Seydel, J.K. and Schaper, K.-J., Chemische Struktur und biologische Aktivität von Wirkstoffen (Methoden der Quantitativen Structur-Wirkung-Analyse), Verlag Chemie, Weinheim, New York 1979, pp. 137-147.
24. Leardi, R., Boggia, R., and Terrile, M., J. Chemometrics 6, 267-281 (1992).
25. Leardi, R., J. Chemometrics 8, 65-79 (1994).
26. Seydel, J.K., Velasko, M.A., Coats, E.A., Cordes, H.-P., Kunz, B. and Wiese, M., Quant. Struct.-Act. Relat. 11, 205-210 (1992).
27. Wiese, M., Cordes, H.-P. and Pajeva, I.K. (in preparation).
28. Tripos Ass., 1699 Hanley Road, St. Louis, Mo 63144, USA.
29. Serena Software, P.O. Box 3076, Bloomington, Indiana 47402-3076, USA.
30. Craik, D.J. and Higgins, K.A., in: Webb, G.A. (Ed.) Annual Reports on NMR Spectroscopy 22, Academic Press, London 1990, pp. 61-138.
31. Mauerhofer, E., First Workshop on Molecular Modelling, May 1987, Darmstadt.
32. Klebe, G., in: Kubinyi, H. (Ed.) 3D QSAR in Drug Design. Theory, Methods and Application, Escom, Leiden, 1993, pp. 173-199.