A Computational Approach Using Bioinformatics to Screening Drug Targets for Species

Overview

Journal Evid Based Complement Alternat Med

Specialty Rehabilitation Medicine

Date 2018 May 23

PMID 29785196

Citations 4

Authors

Miguel Angel Chavez-Fumagalli

Monica Santos Schneider

Daniela Pagliara Lage

Grasiele de Sousa Vieira Tavares

Debora Vasconcelos Costa Mendonca

Thais Teodoro de Oliveira Santos

Rodrigo Maia Padua

Ricardo Andrez Machado-de-Avila

Joao Paulo Viana Leite

Eduardo Antonio Ferraz Coelho

Affiliations

Soon will be listed here.

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 and 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 . Computational programs, such as the target fishing approach and molecular docking assays, were used. Results showed that the putative pathway targeted by strychnobiflavone in 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 and presents a strategy based on bioinformatics programs to screen targets of other molecules with biological action against distinct pathogens.

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