Toward a rational design of selective multi-trypanosomatid inhibitors: A computational docking study

Bioorganic and Medicinal Chemistry Letters

Volumn 16, Issue 24, 2006, Pages 6288-6292

  Espinoza Fonseca, L Michel ^a,b   Trujillo Ferrara, José G ^b  

^a UNIVERSITY OF MINNESOTA   (United States)

^b INSTITUTO POLITÉCNICO NACIONAL   (Mexico)

Author keywords

Aromatic clusters; Computational docking; Triosephosphate isomerase; Trypanosoma brucei; Trypanosoma cruzi; Trypanosomatid inhibitors

Indexed keywords

ANTIPROTOZOAL AGENT; BENZOTHIAZOLE DERIVATIVE;

ARTICLE; ENTAMOEBA HISTOLYTICA; NONHUMAN; PLASMODIUM FALCIPARUM; PROTEIN ANALYSIS; STRUCTURE ACTIVITY RELATION; TRYPANOSOMA BRUCEI; TRYPANOSOMA CRUZI; YEAST;

ANIMALS; DRUG DESIGN; ENTAMOEBA HISTOLYTICA; HUMANS; MODELS, MOLECULAR; PLASMODIUM FALCIPARUM; TRYPANOCIDAL AGENTS; TRYPANOSOMA BRUCEI BRUCEI; TRYPANOSOMA CRUZI; X-RAY DIFFRACTION;

ENTAMOEBA HISTOLYTICA; PLASMODIUM FALCIPARUM; TRYPANOSOMA BRUCEI; TRYPANOSOMA CRUZI; TRYPANOSOMATIDAE;

EID: 33750684639     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmcl.2006.09.029     Document Type: Article

References (14)

1. World Health Organization. Available from: http://www.who.org.
2. Perez-Montfort R., Gomez-Puyou M.T., and Gomez-Puyou A. Curr. Top. Med. Chem. 2 (2002) 457
3. Borchert V.T., Abagyan R., Jaenicke R., and Wierenga R.K. Proc. Natl. Acad. Sci. U.S.A. 91 (1994) 1515
4. Tellez-Valencia A., Avila-Rios S., Perez-Montfort R., Rodriguez-Romero A., Tuena de Gomez-Puyou M., Lopez-Calahorra F., and Gomez-Puyou A. Biochem. Biophys. Res. Commun. 295 (2002) 958
5. Olivares-Illana V., Perez-Montfort R., Lopez-Calahorra F., Costas M., Rodriguez-Romero A., Tuena de Gomez-Puyou M., and Gomez Puyou A. Biochemistry 45 (2006) 2556
6. Tellez-Valencia A., Olivares-Illana V., Hernandez-Santoyo A., Perez-Montfort R., Costas M., Rodriguez-Romero A., Lopez-Calahorra F., Tuena De Gomez-Puyou M., and Gomez-Puyou A. J. Mol. Biol. 341 (2004) 1355
7. Espinoza-Fonseca L.M., and Trujillo-Ferrara J.G. Bioorg. Med. Chem. Lett. 14 (2004) 3151
8. Espinoza-Fonseca L.M., and Trujillo-Ferrara J.G. Biochem. Biophys. Res. Commun. 328 (2005) 922
9. Li H., Robertson A.D., and Jensen J.H. Proteins 61 (2005) 704
10. MacKerell Jr. A.D., Bashford D., Bellott M., Dunbrack Jr. R.L., Evanseck J.D., Field M.J., Fischer S., Gao J., Guo H., Ha S., Joseph-McCarthy D., Kuchnir L., Kuczera K., Lau F.T.K., Mattos C., Michnick S., Ngo T., Nguyen D.T., Prodhom B., Reiher III W.E., Roux B., Schlenkrich M., Smith J.C., Stote R., Straub J., Watanabe M., Wiorkiewicz-Kuczera J., Yin D., and Karplus M. J. Phys. Chem. B 102 (1998) 3586
11. Kale L., Skeel R., Bhandarkar M., Brunner R., Gursoy A., Krawetz N., Phillips J., Shinozaki A., Varadarajan K., and Schulten K. J. Comput. Phys. 151 (1999) 283
12. Molecular Operating Environment, Version MOE 2002.03. Computing Group Chemical Inc.: Montreal, Canada, 2002.
13. Morris G.M., Goodsell D.S., Halliday R.S., Huey R., Hart W.E., Belew R.K., and Olson A.J. J. Comput. Chem. 19 (1998) 1639
14. Maithal K., Ravindra G., Nagaraj G., Singh S.K., Balaram H., and Balaram P. Protein Eng. 15 (2002) 575