Banca de QUALIFICAÇÃO: LARISSA HENRIQUES EVANGELISTA CASTRO

Uma banca de QUALIFICAÇÃO de DOUTORADO foi cadastrada pelo programa.
DISCENTE : LARISSA HENRIQUES EVANGELISTA CASTRO
DATA : 03/05/2018
HORA: 13:00
LOCAL: PQ, sala 50
TÍTULO:

anti-Squistosoma mansoni Prototypes: Design by Molecular Modeling, Synthesis and Evaluation by Mass Spectrometry

PALAVRAS-CHAVES:

Schistosomiasis, molecular modeling, mass spectrometry, HDAC-8, piperine derivatives

PÁGINAS: 18
GRANDE ÁREA: Ciências Exatas e da Terra
ÁREA: Química
SUBÁREA: Química Orgânica
RESUMO:

Schistosomiasis is a neglected tropical disease which affects millions of people around the world, including Brazil. There is still no vaccine available for the prevention of the disease and there are only two drugs used in its treatment, so the search for new drug candidates is extremely important. The disease is caused by parasites of the genus Schistosoma, mainly by S. mansoni species in Brazil. As the drug development process is too expensive and slow, especially for neglected diseases that tend to receive less investment from pharmaceutical companies, the use of molecular modeling techniques for the rational design of bioactive compounds becomes can be a very useful strategy. In this project, we aim to develop drug prototypes with action against S. mansoni. Therefore, it is proposed a structure-based drug design with a target already described in the literature as being fundamental for the survival of the parasite: HDAC-8. Thus, the virtual screening of piperine derivatives as inhibitors of this enzyme will be done by molecular docking and quantum calculations, so that only the most promising compounds will be synthesized. Such compounds will then be evaluated by mass spectrometry in order to determine the kinetic parameters of the enzymatic inhibition. Finally, cytotoxicity assays, and in vitro and in vivo tests of the most promising compounds will be made.

MEMBROS DA BANCA:
Presidente - 1700480 - ARTHUR EUGEN KUMMERLE
Interno - 1979542 - RENATA BARBOSA LACERDA
Externo à Instituição - MARINA AMARAL ALVES - UFRJ