Reposicionamento in silico de fármacos para tratamento da Paracoccidioidomicose
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2018-03-07
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Universidade Federal de Goiás
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Paracoccidioidomycosis (PCM) is a systemic mycosis, caused by thermally dimorphic fungus Paracoccidioides spp., common in Latin America. PCM treatment is long-term chemotherapeutic approach and causes adverse effects. The study goal was drug repositioning with more efficient and safer PCM treatment. It was used data from different lineages of Paracoccidioides spp., Pb01, Pb03 and Pb18. The orthologous proteins were selected from the protein comparison of three isolates, posteriorly, those proteins were compared with proteins of two drugs databases, DrugBank and Therapeutic Target Database (TTD) aiming to identify drugs that had those proteins as target. The Blast P was performed to analyze the percentage of similar character between fungus proteins with drugs banks proteins. Posteriorly, Paracoccidioides spp. proteins were compared with Saccharomyces cerevisiae essential proteins, getting 45 orthologous proteins that were submitted to homology modeling and molecular docking. The results were analyzed, and 17 compounds were selected to be tested in vitro for in silico results confirmation.
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OLIVEIRA, Amanda Alves de. Reposicionamento in silico de fármacos para tratamento da Paracoccidioidomicose. 2018. 118 f. Dissertação (Mestrado em Medicina Tropical e Saúde Publica) - Universidade Federal de Goiás, Goiânia, 2018.