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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Design, Synthesis, Biological Evaluation and Molecular Modeling Studies of Novel Eugenol Esters as Leishmanicidal Agents

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Coelho, Camila M. [1, 2] ; dos Santos, Thiago [1] ; Freitas, Poliany G. [2] ; Nunes, Juliana B. [3] ; Marques, Marcos J. [3] ; Padovani, Camila G. D. [4] ; Judice, Wagner A. S. [4] ; Camps, Ihosvany [5] ; da Silveira, Nelson J. F. [2] ; Carvalho, Diogo T. [1] ; Veloso, Marcia P. [1, 2]
Total Authors: 11
[1] Univ Fed Alfenas, Fac Ciencias Farmaceut, Lab Pesquisa Quim Farmaceut, Rua Gabriel Monteiro da Silva 700, BR-37130000 Alfenas, MG - Brazil
[2] Univ Fed Alfenas, Inst Quim, Lab Modelagem Mol & Simulacao Computac, Rua Gabriel Monteiro da Silva 700, BR-37130000 Alfenas, MG - Brazil
[3] Univ Fed Alfenas, Inst Ciencias Biomed, Lab Biol Mol Microorganismos, Rua Gabriel Monteiro da Silva 700, BR-37130000 Alfenas, MG - Brazil
[4] Univ Mogi das Cruzes, Ctr Interdisciplinar Invest Bioquim, BR-08780911 Mogi Das Cruzes, SP - Brazil
[5] Univ Fed Alfenas, Inst Ciencias Exatas ICEx, Lab Modelagem Computac LaModel, BR-37130000 Alfenas, MG - Brazil
Total Affiliations: 5
Document type: Journal article
Source: Journal of the Brazilian Chemical Society; v. 29, n. 4, p. 715-728, APR 2018.
Web of Science Citations: 2

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)

FAPESP's process: 16/25112-4 - Evaluation of modulators of the activity of proteases involved in pathological processes
Grantee:Wagner Alves de Souza Júdice
Support type: Regular Research Grants