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- Title
A Computational Approach Using Bioinformatics to Screening Drug Targets for Leishmania infantum Species.
- Authors
Chávez-Fumagalli, Miguel Angel; Schneider, Mônica Santos; Lage, Daniela Pagliara; Tavares, Grasiele de Sousa Vieira; Mendonça, Débora Vasconcelos Costa; Santos, Thaís Teodoro de Oliveira; Pádua, Rodrigo Maia; Machado-de-Ávila, Ricardo Andrez; Leite, João Paulo Viana; Coelho, Eduardo Antonio Ferraz
- Abstract
Background. The development of new therapeutic strategies to treat patients for leishmaniasis has become a priority. The antileishmanial activity of the strychnobiflavone flavonoid was recently demonstrated against Leishmania amazonensisand Leishmania infantum amastigotes and promastigotes. The biological effect of this molecule was identified due to its capacity to interfere in the parasite mitochondrial membrane; however, the underlying molecular mechanism remains unclear. Methods and Results. In this study, a computational approach using bioinformatics was performed to screen biological targets of strychnobifavone in L. infantum. Computational programs, such as the target fishing approach and molecular docking assays, were used. Results showed that the putative pathway targeted by strychnobiflavone in L. infantum is the methylglyoxal degradation superpathway, and one hydrolase-like protein was predicted to be the molecular target of this favonoid in the parasites. Conclusion. In this context, this study provides the basis for understanding the mechanism of action of strychnobiflavone in L. infantum and presents a strategy based on bioinformatics programs to screen targets of other molecules with biological action against distinct pathogens.
- Subjects
ANTIPARASITIC agents; DRUG design; FLAVONOIDS; LEISHMANIA; LEISHMANIASIS; MOLECULAR structure; BIOINFORMATICS
- Publication
Evidence-based Complementary & Alternative Medicine (eCAM), 2018, Vol 2018, p1
- ISSN
1741-427X
- Publication type
Article
- DOI
10.1155/2018/6813467