Coelho, Camila M.
dos Santos, Thiago
Freitas, Poliany G.
Nunes, Juliana B.
Marques, Marcos J.
Padovani, Camila G. D.
Judice, Wagner A. S.
da Silveira, Nelson J. F.
Carvalho, Diogo T.
Veloso, Marcia P.
Total Authors: 11
 Univ Fed Alfenas, Fac Ciencias Farmaceut, Lab Pesquisa Quim Farmaceut, Rua Gabriel Monteiro da Silva 700, BR-37130000 Alfenas, MG - Brazil
 Univ Fed Alfenas, Inst Quim, Lab Modelagem Mol & Simulacao Computac, Rua Gabriel Monteiro da Silva 700, BR-37130000 Alfenas, MG - Brazil
 Univ Fed Alfenas, Inst Ciencias Biomed, Lab Biol Mol Microorganismos, Rua Gabriel Monteiro da Silva 700, BR-37130000 Alfenas, MG - Brazil
 Univ Mogi das Cruzes, Ctr Interdisciplinar Invest Bioquim, BR-08780911 Mogi Das Cruzes, SP - Brazil
Journal of the Brazilian Chemical Society;
Web of Science Citations:
Leishmaniasis is a neglected pathology with a high incidence worldwide, and is a governmental health issue due to the increased morbidity and mortality associated with the disease and a scarce therapeutic arsenal. Cysteine proteases have been investigated as targets for new drugs because they are essential in the infectivity of the parasite during its interaction with the host and in its nutrition. This study aimed to identify compounds with leishmanicidal activity, by synthesis of compounds, in vitro evaluation of their biological activity and using molecular modeling and bioinformatics tools. The study of biological activity demonstrated that one compound showed inhibitory activity against the enzyme rCPB 2.8 at a concentration of 100 mu mol L-1. Activation of the enzyme rCPB 2.8 by other 4 compounds was also verified, which may be related to the interaction of these compounds with an allosteric site on the enzyme. (AU)