Banca de QUALIFICAÇÃO: FERNANDA ALICE DE OLIVEIRA

Uma banca de QUALIFICAÇÃO de MESTRADO foi cadastrada pelo programa.
STUDENT : FERNANDA ALICE DE OLIVEIRA
DATE: 28/09/2021
TIME: 14:00
LOCAL: Campus Centro Oeste
TITLE:

IDENTIFICATION OF NEW COMPOUNDS WITH ANTIPLAMODIAL ACTION IN SILICO AND IN VITRO

KEY WORDS:

malaria, chemotherapy, molecular assays

PAGES: 150
BIG AREA: Multidisciplinar
AREA: Biotecnologia
SUMMARY:

The bioactive compounds of N-acylhydrazones are available as Promising substances in drug design and medicinal chemistry. On test in vitro, the compounds AH1, AH2, AH4, AH5 were active against the strain of Chloroquine resistant Plasmodium falciparum (W 2 ) and did not demonstrate toxicity against WI26 VA-4 human cell lines (LC 50 > 100 µM). O compound AH5 and AH4 were the most active with an IC 50 value of 0.7 µM and 0.9 µM. Among the compounds tested, AH4 and AH5 were selected and selected for molecular docking calculations to elucidate possible targets involved in its mechanism of action and the SwissADME test to exemplify their pharmacokinetic data. Compound AH5 has affinity for 12 targets, low selectivity, while the compound AH4 has greater affinity for only one target (3PHC), so it was selected for map analysis pharmacophoric. In ADME in silico tests, the compounds met the Lipinski patterns, indicating good bioavailability results. These results demonstrate N-acylhydrazone compounds as candidates for future preclinical studies for malaria.

BANKING MEMBERS:
Presidente - 1422156 - FERNANDO DE PILLA VAROTTI
Externa à Instituição - SILMARA NUNES ANDRADE - UEMG
Externa à Instituição - RENATA RACHIDE NUNES - UFSJ