Banca de QUALIFICAÇÃO: JAQUELINE FERREIRA RAMOS

Uma banca de QUALIFICAÇÃO de DOUTORADO foi cadastrada pelo programa.
STUDENT : JAQUELINE FERREIRA RAMOS
DATE: 28/02/2023
TIME: 08:30
LOCAL: Departamento de Química
TITLE:

SYNTHESIS, CHARACTERIZATION, PREDICTION AND EVALUATION OF THE BIOLOGICAL POTENTIAL OF DIFFERENT 3,5-DISUSTITUTED 1,2,4-OXADIAZOLES DERIVATIVES OF BIFUNCTIONAL ESTERS.

KEY WORDS:

 1,2,4-Oxadiazole, Heterocyclics, biological activity.

PAGES: 117
BIG AREA: Ciências Exatas e da Terra
AREA: Química
SUBÁREA: Química Orgânica
SPECIALTY: Síntese Orgânica
SUMMARY:

In recent decades, the pharmaceutical sector has experienced rapid economic growth due, in part, to population growth. This undoubted growth boosted Research, Development & Innovation (R,D&I) of new medicines. In this sense, R,D&I has experienced notable changes as pharmaceutical innovation processes have been presenting high-throughput screenings based on genomics, molecular and structural biology and molecular modeling. However, the biggest challenge for the pharmaceutical sector remains the design of new drugs with low toxicity and high efficacy and selectivity. Faced with this, heterocyclics stand out, especially oxadiazoles, which have broad biological activity, including anti-inflammatory, antitumor and antifungal, antioxidant, among others. Thus, the present work aimed to carry out the synthesis, characterization and biological activity of different 3,5-disubstituted 1,2,4-oxadiazoles derived from ethyl 3-oxobutanoate and ethyl 4-oxopentanoate. The synthesis took place through the microwave irradiation methodology due to its advantages, among them the low reaction time, non-use of solvents and easy purification. The synthesized compounds were obtained with yields ranging from 53-91% and reaction times from 1 to 5 minutes. The in silico study was carried out using the ADMETlab website, in which its pharmacokinetic properties were determined, which are very promising. With regard to antioxidant activity, the compounds showed results ranging from weak to moderate, and this result was reflected in the study of molecular docking. In addition, the compounds had their probable activities verified by the Pass online site, where it was possible to verify numerous activities with high probability for the synthesized compounds, confirming the potential of the 1,2,4-oxadiazole nucleus. The synthesized compounds showed easy purification, excellent yields and low to moderate antioxidant activity confirmed by the molecular docking study through the inhibition of KEAP-1, in addition the compounds presented several predictions of biological activity evidencing the potential activity of the nucleus.

COMMITTEE MEMBERS:
Presidente - ***.451.424-** - JULIANO CARLO RUFINO DE FREITAS - UFCG
Interno - JOAO RUFINO DE FREITAS FILHO
Interno - MARCILIO MARTINS DE MORAES
Externo à Instituição - COSME SILVA SANTOS
Externo à Instituição - JONH ANDERSON MACÊDO SANTOS - IFPE
Externo à Instituição - PAULO SÉRGIO