Banca de DEFESA: JAQUELINE FERREIRA RAMOS

Uma banca de DEFESA de DOUTORADO foi cadastrada pelo programa.
STUDENT : JAQUELINE FERREIRA RAMOS
DATE: 27/02/2025
TIME: 18:00
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:

 Heterocyclics, molecular docking, virtual screening

PAGES: 95
BIG AREA: Ciências Exatas e da Terra
AREA: Química
SUBÁREA: Química Orgânica
SPECIALTY: Síntese Orgânica
SUMMARY:

In recent years, the pharmaceutical sector has experienced significant economic growth, driven both by increased drug consumption and by increased investment in Research and Development (R&D) of new drugs, aiming to meet emerging therapeutic demands. This scenario has promoted significant advances in pharmaceutical innovation processes, resulting in the implementation of highly consolidated strategies, such as high-throughput screening (HTS), based on genomic approaches, molecular and structural biology, as well as molecular modeling. The discovery and development of new drugs represent substantial challenges for the pharmaceutical industry, due to increasing toxicity, high operational costs and the exponential increase in resistance acquired by pathogens and neoplastic cells to conventional drugs. In this scenario, the search for innovative bioactive compounds becomes essential. Among the various classes of heterocyclic structures with therapeutic potential, oxadiazoles stand out for their wide range of biological activities, including anti-inflammatory, antitumor, antifungal and antioxidant properties. The present study aimed to synthesize, characterize the structure, and evaluate the biological activity of 3,5-disubstituted 1,2,4-oxadiazoles obtained from ethyl 2-oxopropanoate and ethyl 4-oxopentanoate. The synthesis was carried out by microwave irradiation, an advantageous method for reducing the reaction time, eliminating solvents, and facilitating purification. The compounds were obtained in yields ranging from 53% to 91%. The pharmacokinetic properties were evaluated in silico by ADMETlab, revealing promising profiles. Biological assays indicated variable activities. In addition, molecular docking and prediction studies by PASS Online confirmed the potential of the 1,2,4-oxadiazole nucleus as a candidate for new bioactive entities.

 

COMMITTEE MEMBERS:
Presidente - ***.451.424-** - JULIANO CARLO RUFINO DE FREITAS - UFCG
Interno - JOAO RUFINO DE FREITAS FILHO
Externa à Instituição - JOANA MARIA DE FARIAS BARROS - UFCG
Externa à Instituição - JOSEFA AQUELINE DA CUNHA LIMA - UEPB
Externa à Instituição - RAYANE DE OLIVEIRA SILVA