3D QSAR studies of inhibitors of epidermal growth factor receptor [EGFR] using CoMFA and GFA methodologies

Medicinal Chemistry Research

Volumn 13, Issue 8-9, 2004, Pages 605-618

  Pednekar, Deepa V ^a   Kelkar, Mandar A ^a   Pimple, Surekha R ^a   Akamanchi, Krishnacharya G ^a  

^a INSTITUTE OF CHEMICAL TECHNOLOGY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

4 ANILINOQUINOLINE 3 CARBONITRILE; CYANIDE; EPIDERMAL GROWTH FACTOR RECEPTOR; UNCLASSIFIED DRUG;

BIOLOGICAL ACTIVITY; CHEMICAL MODEL; COMPARATIVE MOLECULAR FIELD ANALYSIS; CONFERENCE PAPER; DRUG ACTIVITY; DRUG CONFORMATION; DRUG EFFECT; DRUG MECHANISM; DRUG RECEPTOR BINDING; DRUG STRUCTURE; ELECTRICITY; GENETIC FUNCTION APPROXIMATION; PHYSICAL CHEMISTRY; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STRUCTURE ACTIVITY RELATION; THERMODYNAMICS;

EID: 22644443387     PISSN: 10542523     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00044-004-0105-8     Document Type: Conference Paper

References (15)

1. Pandey, M.; Chandramohan, K. World Journal of Oncology 2003, 1, 7-8.
2. Greenwald, V.; Hidalgo, M. J. Natl. Cancer Inst. 2003, 95 (12), 851-67.
3. Cramer, R.D., III; Patterson, D. E.; Bunce, J.D. J.Am.Chem.Soc. 1988, 110, 5959-5967
4. Zhang, S. X.; Feng, J.; Kuo, S. C.; Brossi, A.; Hamel, E.; Tropsha, A.; Lee, K.H. J.Med.Chem. 2000, 43, 167-176.
5. Logney, D.A.; Schwender, C.F. J. Computer A Mol. Des. 1992, 42, 373-380.
6. Lopez, M.L.; Murcia, M.; Benhanue, B. J.Med.Chem, 2002, 45, 4806-4814.
7. Rogers, D.; Hopfinger, A. J.Chem.Inf.Comput.Sci. 1994, 34, 854-866.
8. Rogers, D. Genetic Algorithms in Molecular Modeling: Devillers, J.; Ed. Acadadamic press: London. 1996; pp 87-107.
9. Friedman, J. H. Multivariate Adaptive Regression Splines. Ann. Statistics 1991, 19, 1-141.
10. Wissner, A., Overbeek, E., Reich, M. F., Floyd, M. B., Johnson, B.D., Mamuya, N., Rosfjord, E.C., Discafani, C., Davis, R., Shi, X., Rabindran, S.K., Grubei, B.C., Ye, F., Hallett, W.A., Nilkantan, R., Shen, R., Wang, Y.F., Greenberger, L.M. and Tsou, H.R., J. Med. Chem., 2003, 46, 49-63.
11. SYBYL program version 6.6 was supplied by Tripos Association 1699 South Hanley road, Suite 303, St. Louis, Missouri 63144, U.S.A..
12. Cruciani, G. and Watson, K.A. J. Med. Chem., 1993, 37, 2589-2601.
13. Hoskulsson, A.. J. Chemometrics, 1988, 2, 211-218.
14. Cerius2 (version-3.5) running on SG O2 R5000 work station available from Molecular Simulations Inc. 9685, Scraton road, San Diego, C.A., U.S.A. 92121.
15. Rappe, A.K.; Casewit, K.S.; Colwell, W. A.; Goddard, III; Skiff, W.M. J.Am.Chem.Soc. 1992, 114, 10024-10035.