A computational approach using bioinformatics to screening drug targets for Leishmania infantum species
| Autor: | Grasiele S.V. Tavares, Mônica Santos Schneider, Ricardo Andrez Machado-de-Ávila, Thaís T.O. Santos, Rodrigo Maia de Pádua, João Paulo Viana Leite, Daniela P. Lage, Miguel A. Chávez-Fumagalli, Eduardo A.F. Coelho, Débora V.C. Mendonça |
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| Jazyk: | angličtina |
| Rok vydání: | 2018 |
| Předmět: |
0301 basic medicine
Drug Article Subject Bioinformatics media_common.quotation_subject Context (language use) 03 medical and health sciences parasitic diseases medicine Leishmania infantum Amastigote media_common Leishmania amazonensis biology Leishmaniasis lcsh:Other systems of medicine medicine.disease biology.organism_classification lcsh:RZ201-999 030104 developmental biology Complementary and alternative medicine Mechanism of action Methylglyoxal degradation medicine.symptom |
| Zdroj: | LOCUS Repositório Institucional da UFV Universidade Federal de Viçosa (UFV) instacron:UFV Evidence-Based Complementary and Alternative Medicine, Vol 2018 (2018) |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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