QSAR analysis of cyclooxygenase inhibitor using particle swarm optimization and multiple linear regression

Journal of Pharmaceutical and Biomedical Analysis

Volumn 35, Issue 4, 2004, Pages 679-687

  Lü, Jian Xia ^a   Shen, Qi ^a   Jiang, Jian Hui ^a   Shen, Guo Li ^a   Yu, Ru Qin ^a  

^a HUNAN UNIVERSITY   (China)

Author keywords

aqueous desolvation free energy; Cox; cyclooxygenase; Fh2o; fractional charged partial surface areas; GA; GA MLR; genetic algorithm; Jurs Fnsa 1; Jurs FPSA 1; QSAR modeling by MLR method using descriptors selected by GA

Indexed keywords

CYCLOOXYGENASE 1; CYCLOOXYGENASE 2; IMIDAZOLE DERIVATIVE; PROSTAGLANDIN SYNTHASE INHIBITOR;

AQUEOUS SOLUTION; ARTICLE; BINDING AFFINITY; DRUG SELECTIVITY; ENERGY; ENZYME ACTIVITY; ENZYME BINDING; ENZYME INHIBITION; GENETIC ALGORITHM; LINEAR REGRESSION ANALYSIS; MATHEMATICAL COMPUTING; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STRENGTH;

CYCLOOXYGENASE INHIBITORS; LINEAR MODELS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 2942522879     PISSN: 07317085     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpba.2004.02.026     Document Type: Article

References (31)

1. Smith R.M., DeWitt D.L., Garavito R.M. Annu. Rev. Biochem. 69:2000;145-182
2. Herschman H. Adv. Exp. Med. Biol. 469:1999;3-8
3. Xie W., Chipman J.G., Robertson D.L., Erikson R.L., Simmons D.L. Proc. Natl. Acad. Sci. U.S.A. 88:1991;2692
4. Kujubu D., Fletcher B.S., Varnum B.C., Lim R.W., Herschman H.R. J. Biol. Chem. 266:1991;12866
5. O'Banion M.K., Sadowski H.B., Winn V., Young D.A. J. Biol. Chem. 266:1991;23261
6. Seibert K., Zhang Y., Leahy K., Hauser S., Masferrer J., Perkins W., Lee L., Isakson P. Proc. Natl. Acad. Sci. U.S.A. 91:1994;12013-12017
7. O'Neill G.P., Ford-Hutchinson A.W. FEBS Lett. 330:1993;156-160
8. Kargman S., Charleson S., Cartwright M., Frank J., Riendeau D., Mancini J., Evans J., O'Neill G. Gastroenterology. 111:1996;445-454
9. Allison M.C., Howatson A.G., Torrence C.J., Lee F.D., Russel R.I. N. Engl. J. Med. 327:1992;749-754
10. Sontag S.J. Drugs. 32:1986;445-457
11. Schoen R.T., Vender R.J. Am. J. Med. 86:1989;449-458
12. Patrono C., Dunn M.J. Kidney Int. 32:1987;1-12
13. Clive D.M., Stoff J.S. N. Engl. J. Med. 310:1984;563-572
14. Masferrer J.L., Zweifel B.S., Manning P.T., Hauser S.D., Leahey K.M., Smith W.G., Isakson P.C., Seibert K. Proc. Natl. Acad. Sci. U.S.A. 91:1994;3228-3232
15. Seibert K., Masferrer J.L. Receptor. 4:1994;17-23
16. Meade E.A., Smith W.L., DeWitt D.L. J. Biol. Chem. 268:1993;6610-6614
17. Mitchell J.A., Akarasereemont P., Thiemerman C., Flower R.J., Vane J.R. Proc. Natl. Acad. Sci. U.S.A. 90:1993;11693-11697
18. Vane J.R., Mitchell J.A., Appleton I., Tomlinson A., Bishop-Bailey D., Croxtail J., Willoughby D.A. Proc. Natl. Acad. Sci. U.S.A. 91:1994;2046-2050
19. Harada Y., Hatanaka K., Saito M., Majima M., Ogina M., Kawamura M., Ohno T., Yang Q., Katori M., Yamamoto S. Biomed. Res. 15:1994;127-130
20. P. Emery, Scand. J. Rheumatol. 25 (Suppl. 102) (1996) 23-28.
21. Carabaza A., Cabre F., Rotllan E., Gomez M., Gutierrez M., Garcia L., Mauleon D. J. Clin. Pharmacol. 36:1996;505-512
22. Gierse J.K., McDonald J.J., Hauser S.D., Rangwala S.H., Koboldt C.M., Seibert K.A. J. Biol. Chem. 271:1996;15810-15814
23. Khanna I.K., Weier R.M., Yu Y., Xu X.D., Koszyk F.J., Collins P.W., Koboldt C.M., Veenhuizen A.W., Perkins W.E., Casler J.J., Masferrer J.L., Zhang Y.Y., Gregory S.A., Seibert K., Isakson P.C. J. Med. Chem. 40:1997;1634-1647
24. Q. Shen, J.H. Jiang, G.L. Shen, R.Q. Yu, Eur. J. Pharm. Sci., in press.
25. J. Kennedy, R. Eberhart, Particle Swarm Optimization, in: Proceedings of the IEEE International Conference on Neural Networks, Perth, Australia, 1995, pp. 1942-1948.
26. R.C. Eberhart, X. Hu, in: Proceedings of the Congress on Evolutionary Computation, Washington DC, USA, 1999, pp. 1927-1930.
27. Yoshida H., Kawata K., Fukuyama Y., Takayama S., Nakanishi Y. IEEE Trans.Power Syst. 15:2000;1232-1239
28. Naka S., Genji T., Yura T., Fukuyama Y. IEEE Trans.Power Syst. 18:2003;60-68
29. Shen Q., Jiang J.H., Shen G.L., Yu R.Q. Anal. Bioanal. Chem. 375:2003;248-254
30. Stanton D.T., Jurs P.C. Anal. Chem. 62:1990;2323-2329
31. Roxburgh R.H., Jurs P.C. Anal. Chim. Acta. 987:1991;99-109