A Computational Approach Using Bioinformatics to Screening Drug Targets for Leishmania infantum Species

Miguel Angel Chávez-Fumagalli, Mônica Santos Schneider, Daniela Pagliara Lage, Grasiele De Sousa Vieira Tavares, Débora Vasconcelos Costa Mendonça, Thaís Teodoro De Oliveira Santos, Rodrigo Maia Pádua, Ricardo Andrez Machado-De-Ávila, João Paulo Viana Leite, Eduardo Antonio Ferraz Coelho

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11 Citas (Scopus)

Resumen

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 amazonensis and 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 strychnobiflavone 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 flavonoid 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.

Idioma originalInglés
Número de artículo6813467
PublicaciónEvidence-based Complementary and Alternative Medicine
Volumen2018
DOI
EstadoPublicada - 2018
Publicado de forma externa

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