Quantitative drug activity prediction for inhibitors of human breast carcinoma

International Journal of Pharmaceutical Medicine

Volumn 18, Issue 2, 2004, Pages 81-89

  Makkouk, Al H ^a   Bersuker, Isaac B ^a   Boggs, James E ^a  

^a UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANTINEOPLASTIC AGENT; UREA DERIVATIVE;

ACCURACY; ARTICLE; BREAST CARCINOMA; DRUG CONFORMATION; LIPOPHILICITY; MATHEMATICAL MODEL; PHARMACOPHORE; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

EID: 4344692684     PISSN: 13649027     EISSN: None     Source Type: Journal    
DOI: 10.2165/00124363-200418020-00002     Document Type: Article

References (22)

1. Mounetou E, Legault J, Lacroix J. et al. Antimitotic antitumor agents: synthesis, structure-activity relationships, and biological characterization of N-Aryl-N-(2-chloroehtyl)ureas as new selective alkylating agents. J Med Chem 2001; 44: 694-702
2. Legault J, Gaulin JF, Mounetou E, et al. Microtubule disruption induced in vivo by alkylation of β-tubulin by 1-aryl-3-(2-chloroethyl)urea, a novel class of antineoplastic soft alkylating agents. Cancer Res 2000; 60: 985-92
3. Hamel E, Covell DG. Antimitotic peptides and depsipeptides. Curr Med Chem Anti-Canc Agents 2002; 2: 19-53
4. Guner OF, editor. Pharmacophore perception, development, and use in drug design. La Jolla (CA): International University Line, 2000
5. Marshall GR. Molecular modeling in drug design. In: Wolff ME, editor. Burger's medicinal chemistry and drug discovery: principles and practice. 5th ed. Vol. 1. New York: John Wiley, 1995: 573-659
6. Ghose AK, Wendoloski JJ. Pharmacophore modelling: methods, experimental verification and applications. In: Kubinyi H, Folkers G, Martin YC, editors. 3D QSAR in drug design: ligand-protein interactions and molecular similarity. Vol. 2. Boston (MA): Kluwer/Escom, 1998: 253-71
7. Kubinyi H, editor. 3D QSAR in drug design: theory, methods and applications. Leiden. The Netherlands: ESCOM, 1993
8. Holtje HD, Folkers G. Molecular modeling: basic principles and applications. In: Mannhold R, Kubinyi H, Timmerman H, editors. Methods and principles in medicinal chemistry. Vol. 5. New York: VCH Publishers, 1997: 55-61
9. Cohen NC, editor. Guidebook on molecular modeling in drug design. New York: Academic Press, 1996
10. Martin YC, Willet P, editors. Designing bioactive molecules: three-dimensional techniques and applications. Washington, DC: American Chemical Society, 1998
11. Oprea TI, Waller CL. Theoretical and practical aspects of three-dimensional quantitative structure-activity relationships. In: Lipkowitz KB, Boyd DB, editors. Reviews of computational chemistry. Vol. 11. New York: Wiley-VCH Publishers, 1997: 127-82
12. Holtje HD, Sippl W, editors. Rational approach to drug design. Barcelona: Prous Science, 2001
13. Bersuker IB. Pharmacophore identification and quantitative bioactivity prediction using the electron-conformational method. Curr Pharm Des 2003; 9: 1575-606
14. Bersuker IB, Dimoglo AS. The electron-topological approach to the QSAR problem. In: Lipkowitz KB, Boyd DB, editors. Reviews in computational chemistry. Vol. 2. New York: VCH Publishers, 1991: 423-60
15. Bersuker IB, Bahceci S, Boggs JE, et al. An electron-conformational method of identification of pharmacophore and anti-pharmacophore shielding: application to rice blast activity. J Comput Aided Mol Des 1999; 13: 419-34
16. Bersuker IB, Bahceci S, Boggs JE. Improved electron-conformational method of pharmacophore identification and bioactivity prediction: application to angiotensin converting enzyme inhibitors. J Chem Inf Comput Sci 2000; 40: 1363-76
17. Bersuker IB, Bahceci S, Boggs JE. The electron-conformational method of identification of pharmacophore and anti-pharmacophore shielding. In: Guner OF, editor. Pharmacophore perception, development, and use in drug design. La Jolla (CA): International University Line, 2000: 457-74
18. Rosines E, Bersuker IB, Boggs JE. Pharmacophore identification and bioactivity prediction for group I metabotropic glutamate receptor agonists by the electron-conformational QSAR method. Quant Struct Act Relat 2001; 20: 327-34
19. Schulz AR. Enzyme kinetics. Cambridge (UK): Cambridge University Press, 1994
20. SPARTAN, Version 5.1.3. Irvine (CA): Wavefunction, Inc., 1998
21. Matlab, Version 5.3. Natick (MA): Mathworks, Inc., 1999
22. Livingston D. Data analysis for chemists. Oxford: Oxford University Press, 1995