3D QSAR studies on antimalarial alkoxylated and hydroxylated chalcones by CoMFA and CoMSIA

European Journal of Medicinal Chemistry

Volumn 39, Issue 9, 2004, Pages 745-753

  Xue, C X ^a   Cui, S Y ^a   Liu, M C ^a   Hu, Z D ^a   Fan, B T ^b  

^a LANZHOU UNIVERSITY   (China)

^b UNIVERSITÉ PARIS DESCARTES   (France)

Author keywords

Chalcone; CoMFA; CoMSIA; Malaria; QSAR

Indexed keywords

ANTIMALARIAL AGENT; CHALCONE DERIVATIVE;

ARTICLE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; DRUG ACTIVITY; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ANTIMALARIALS; CHALCONE; COMPUTER SIMULATION; DRUG DESIGN; MODELS, CHEMICAL; MODELS, MOLECULAR; MULTIVARIATE ANALYSIS; PREDICTIVE VALUE OF TESTS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 4444223885     PISSN: 02235234     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ejmech.2004.05.009     Document Type: Article

References (20)

1. Wahlgren M., and Bejarano M.T. Nature 400 1999 506-507
2. Chen M., Theander T.G., Christensen B.S., Hviid L., Zhai L., and Kharazmi A. Antimicrob. Agents Chemother. 38 1994 1470-1475
3. Chen M., Christensen B.S., Zhai L., Rasmussen M.H., Theander T.G., Frokjaer S., Sterffansen S., Davidsen J., and Kharazmi A. J. Infect. Dis. 176 1997 1327-1333
4. Li R., Kenyon G.L., Cohen F.E., Chen X., Gong B., Dominguez J.N., Davidson E., Kurzban G., Miller R.E., Nuzum E.O., Rosenthal P.J., and Mekerrow J.H. J. Med. Chem. 38 1995 5031-5037
5. Ram V.J., Saxena A.S., Srivastava S., and Chandra S. Bioorg. Med. Chem. Lett. 10 2000 2159-2161
6. Nielsen S.F., Christensen S.B., Cruciani G., Kharazmi A., and Liljefors T. J. Med. Chem. 41 1998 4819-4832
7. Herencia F., Ferrandia M.L., Ubeda A., Dominguez J.N., Charris J.E., Lobo G.M., and Alcaraz M.J. Bioorg. Med. Chem. Lett. 8 1998 1169-1174
8. Ducki S., Forrest R., Hadfield J.A., Kendall A., Lawrence N.J., Mcgown A.T., and Rennison D. Bioorg. Med. Chem. Lett. 8 1998 1051-1056
9. Bois F., Boumendjel A., Mariotte A., Conseil G., and Di Petro A. Bioorg. Med. Chem. 7 1999 2691-2695
10. Cramer R.D. III, Patterson D.E., and Vunce J.D. J. Am. Chem. Soc. 110 1988 5959-5967
11. Klebe G., Abraham U., and Mietzner T. J. Med. Chem. 37 1994 4130-4146
12. Liu M., Wilairat P., and Go M.L. J. Med. Chem. 44 2001 4443-4452
13. SYBYL, version 6.9 1999 Tripos Associates St. Louis, MO, USA http://www.tripos.com/ available from
14. Zou X.J., Lai L.H., Jin G.Y., and Zhang Z.X. J. Agric. Food Chem. 50 2002 3757-3760
15. Bohm M., Sturzebecher J., and Klebe G. J. Med. Chem. 42 1999 458-477
16. Agarwal A., and Taylor E.W. J. Comput. Chem. 14 1993 237-245
17. Baurin N., Vangrevelinghe E., Morin-Allory L., Mérour J.Y., Renard P., Payard M., Guillaumet G., and Marot C. J. Med. Chem. 43 2000 1109-1122
18. Collantes E.R., and Li X. J. Agric. Food Chem. 47 1999 5245-5251
19. Debnath A.K. J. Med. Chem. 42 1999 249-259
20. Klebe G., and Abraham U. J. Comput. Aid. Mol. Des. 13 1999 1-10