Title:	Reposicionamento de fármacos para o tratamento da tuberculose : uma análise in silico e in vitro
Other Titles:	Drug repurposing for tuberculosis treatment : na in silico and in vitro analysis
Authors:	Melo, Adriana Françozo de
Orientador(es)::	Mello, Maurício Homem de
Assunto::	Tuberculose Mycobacterium tuberculosis Tuberculose - tratamento Reposicionamento de fármacos
Issue Date:	5-Jan-2023
Data de defesa::	12-Sep-2022
Citation:	MELO, Adriana Françozo de. Reposicionamento de fármacos para o tratamento da tuberculose: uma análise in silico e in vitro. 2022. 73 f., il. Dissertação (Mestrado em Ciências Farmacêuticas) — Universidade de Brasília, Brasília, 2022.
Abstract:	Tuberculosis is an infectious disease caused by the bacteria Mycobacterium tuberculosis and affects 10 million people a year, leading to more than 1 million deaths in the same period. The drugs used for the first-line treatment of tuberculosis are Rifampicin, Isoniazid, Pyrazinamide, and Ethambutol, which can lose their effectiveness due to resistance associated with the various mutations that the bacteria can present. Considering the difficulty in launching innovative drugs, one alternative is the repositioning of drugs that are on the market and have not yet been tested for this specific pathology. One way to reduce costs and time invested in the choice of a drug is the in silico methodology, which consists in performing computational tests to predict whether there is interaction between the molecule of interest and the molecular target. In the present study, the search for potential ligands to molecular targets of the first-line rifampicin (RNA-polymerase) and isoniazid (enoyl-ACP-reductase) drugs was performed. The ligand obtained with the best result (for both targets) in silico was Coenzyme Q10, which was then evaluated in vitro to determine its Minimum Inhibitory Concentration (MIC) in order to verify the effect of this molecule directly on tuberculosis bacteria. The result obtained did not show high activity within the concentration range tested, which denotes the importance of biological tests even with relevant computational results. Other ligands should still be tested to confirm if the computational approach achieved any degree of effectiveness.
metadata.dc.description.unidade:	Faculdade de Ciências da Saúde (FS) Departamento de Farmácia (FS FAR)
Description:	Dissertação (mestrado) — Universidade de Brasília, Faculdade de Ciências da Saúde, Programa de Pós-Graduação em Ciências Farmacêuticas, Brasília, 2022.
metadata.dc.description.ppg:	Programa de Pós-Graduação em Ciências Farmacêuticas
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Appears in Collections:	Teses, dissertações e produtos pós-doutorado

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