Banca de QUALIFICAÇÃO: GLEYTON LEONEL SILVA SOUSA

Uma banca de QUALIFICAÇÃO de DOUTORADO foi cadastrada pelo programa.
STUDENT : GLEYTON LEONEL SILVA SOUSA
DATE: 24/02/2022
TIME: 10:00
LOCAL: Plataforma virtual
TITLE:

Design of new isatins as possible 3CL^pro SARS-CoV-2 protease inhibitors

KEY WORDS:

SARS-CoV-2; Protease; Isatin derivatives; Synthesis; Inhibitor

PAGES: 10
BIG AREA: Ciências Exatas e da Terra
AREA: Química
SUBÁREA: Química Orgânica
SPECIALTY: Síntese Orgânica
SUMMARY:

The recent COVID-19 pandemic, caused by the SARS-CoV-2 virus, has brought irreparable damage to the world. While substantial progress in clinical research has led to a better understanding of SARS-CoV-2 and the management of COVID-19, limiting the spread of this virus and its variants has become an irrefutable issue. The viral 3-chymotrypsin-like cysteine protease enzyme (3CL^pro) controls the replication of the coronavirus and is essential for its life cycle. Isatin derivatives have reported inhibition of 3CL^pro SARS-CoV-2 protease at the sub molar scale. Considering all the structural information of the 3CL^pro protease and its inhibitors, as well as all the advances regarding the pathology in question, this work presents the planning of three isatin series developed as possible anti-SARS-CoV-2 compounds capable of acting as protease inhibitors of the 3CL^pro. The compounds proposed in this project are based on classic organic synthesis reactions such as N-acetylation and Knoevenagel condensation, and more complex chemical reactions such as Wittig and Strecker. In addition to investigating the in vitro inhibition profile of 3CL^pro SARS-CoV-2, the most promising compounds will be evaluated against SARS-CoV-2 strains and by pharmacokinetic studies. Furthermore, theoretical studies of anchorage, associated with the correlations between the structures and their activities, can support the development of potent inhibitors of 3CL^pro SARS-CoV-2. The predictions of conformations and molecular interactions presented in this work suggest a possible inhibitory activity of the proposed 3CL^pro SARS-CoV-2 protease derivatives, and corroborate the execution of this project

BANKING MEMBERS:
Presidente - 1220404 - CARLOS MAURICIO RABELLO DE SANT ANNA
Interno - 2624418 - CLAUDIO EDUARDO RODRIGUES DOS SANTOS
Interna - 1979542 - RENATA BARBOSA LACERDA
Externa ao Programa - 1792175 - PATRICIA FAMPA NEGREIROS LIMA
Externo à Instituição - VAGNER DANTAS PINHO