3D QSAR study of the toxicity of trichothecene mycotoxins

European Journal of Medicinal Chemistry

Volumn 44, Issue 11, 2009, Pages 4485-4489

  Steinmetz, Wayne E ^a   Rodarte, Cezar B ^b   Lin, Alvin ^a  

^a POMONA COLLEGE   (United States)

^b UNIVERSITY OF REDLANDS   (United States)

Author keywords

3D QSAR; CoMFA; CoMSIA; Trichothecene mycotoxins

Indexed keywords

16 HYDROXY VERRUCARIN A; 8 OXOVERRUCARIN A; ALPHA 9,10 EPOXY VERRUCARIN A; BACCHARIN B1; BACCHARIN B2; BACCHARIN B3; BACCHARIN B4; BACCHARIN B5; BACCHARIN B6; BACCHARIN B7; BACCHARIN B8; BETA 8 HYDROXY RORIDIN A; BETA 8 HYDROXY VERRUCARIN A; BETA 9 HYDROXY,ALPHA BROMO VERRUCARIN A; BETA 9,10 EPOXY RORIDIN A; BETA 9,10 EPOXY RORIDIN H; BETA 9,10 EPOXY VERRUCARIN A; BETA 9,10 EPOXY VERRUCARIN A ACETATE; BETA 9,10 EPOXY VERRUCARIN B; BETA 9,10 EPOXY VERRUCARIN J; BETA HYDROXY VERRUCARIN J; MYCOTOXIN; RORIDIN A; RORIDIN D; RORIDIN H; TRICHOTHECENE DERIVATIVE; UNCLASSIFIED DRUG; UNINDEXED DRUG; VERRUCARIN A; VERRUCARIN B; VERRUCARIN J;

ANIMAL EXPERIMENT; ANIMAL MODEL; ARTICLE; BIOLOGICAL ACTIVITY; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; CONTROLLED STUDY; DRUG STRUCTURE; DRUG SYNTHESIS; LEUKEMIA; MOUSE; NONHUMAN; QUANTITATIVE STRUCTURE ACTIVITY RELATION; THREE DIMENSIONAL ECHOCARDIOGRAPHY;

HYPOCREALES; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MYCOTOXINS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RIBOSOMES; STATIC ELECTRICITY; TRICHOTHECENES;

EID: 70349779321     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2009.06.012     Document Type: Article

References (24)

1. Augerson W. A Review of the Scientific Literature as it Pertains to Gulf War Illnesses vol. 5 (2000), Rand Corp., Santa Monica, CA (Chapter 4)
2. Doi K., Ishigami N., and Sehata S. Int. J. Mol. Sci. 9 (2008) 2146-2158
3. C.J. Mirocha, S.V. Pathe, B. Schauerhamer, C.M. Christensen, Appl. Environ. Microbiol. 32(1976) 553-556.
4. Mirocha C.J. In: Shimoda W. (Ed). Conference on Mycotoxins in Animal Feeds and Grains Related to Animal Health (1980), U.S. Food and Drug Administration, Rockville, MD 289-360
5. Wannemacher R., and Wiener S. Medical Aspects of Chemical and Biological Warfare vol. TMM8 (1997), U.S. Government Printing Office, Washington, DC [Chapter 34]
6. Grove J.F., and Mortimer P.H. Biochem. Pharmacol. 18 (1969) 1473-1478
7. Grove M.D., Burmeister H.R., Taylor S.L., Weisleder D., and Platner R.D. J. Agric. Food Chem. 32 (1984) 541-544
8. Hansch C., and Leo A. Exploring QSAR (1995), American Chemical Society, Washington, DC
9. Betina V. Chem. Biol. Interact. 71 (1989) 105-146
10. Steinmetz W.E., Robustelli P., Edens E., and Heineman D. J. Nat. Prod. 71 (2008) 589-594
11. Cramer III R.D., Patterson D.E., and Bunce J.D. J. Am. Chem. Soc. 110 (1988) 5959-5967
12. Klebe G., Abraham U., and Mietzner T. J. Med. Chem. 37 (1994) 4130-4146
13. Klebe G., and Abraham U. J. Comput. Aided Mol. Des. 13 (1999) 1-10
14. Young D., Martin T., Venkatapathy R., and Harten P. QSAR Comb. Sci. 27 (2008) 1337-1345
15. Jarvis B.B., Stahly G.P., and Pavanasasivam G. J. Med. Chem. 23 (1980) 1054-1058
16. Jarvis B.B., Midiwo J.O., and Mazzola E.P. J. Med. Chem. 27 (1984) 239-244
17. Madhyastha M.S., Marquandt R.R., and Abramson D. Toxicon 32 (1994) 1147-1152
18. Steinmetz W.E., Shapiro B.L., and Roberts J.L. J. Med. Chem. 45 (2002) 4899-4902
19. Eriksson L., Jaworska J., Worth A.P., Cronin M.T.D., McDowell R.M., and Gramatica P. Environ. Health Perspect. 111 (2003) 1361-1375
20. Wei C.M., and McLaughlin C.S. Biochem. Biophys. Res. Commun. 57 (1974) 838-844
21. Jimenez A., and Vazquez D. Eur. J. Biochem. 54 (1975) 483-492
22. Schindler D. Nature 249 (1974) 38-41
23. Li M., and Pestka J.J. Toxicol. Sci. 105 (2008) 67-78
24. Hansen J.L., Moore P.B., and Steitz T.A. J. Mol. Biol. 330 (2003) 1061-1075