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

作者：Chavez Fumagalli Miguel Angel; Schneider Monica Santos; Lage Daniela Pagliara; Vieira Tavares Grasiele de Sousa; Costa Mendonca Debora Vasconcelos; de Oliveira Santos Thais Teodoro; Padua Rodrigo Maia; Machado de Avila Ricardo Andrez; Viana Leite Joao Paulo; Ferraz Coelho Eduardo Antonio

来源：Evidence-Based Complementary and Alternative Medicine, 2018, 2018: 6813467.

DOI：10.1155/2018/6813467

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.

• 出版日期2018