Banca de QUALIFICAÇÃO: ÉRIKA GEICIANNY DE CARVALHO MATIAS

Uma banca de QUALIFICAÇÃO de DOUTORADO foi cadastrada pelo programa.
STUDENT : ÉRIKA GEICIANNY DE CARVALHO MATIAS
DATE: 02/05/2024
TIME: 09:00
LOCAL: Videoconferência - Link para acesso: https://meet.google.com/nsv-ebgz-sxo
TITLE:

MODULATION OF SIRT6 BY FLAVONOIDS: A QUANTUM BIO-CHEMICAL ANALYSIS IN THE SEARCH OF THERAPEUTICSTRATEGIES

KEY WORDS:

SIRT6,Modulators,MetabolicDiseases,Cancer,MolecularModeling,MFCC,DFT.

PAGES: 51
BIG AREA: Ciências Biológicas
AREA: Bioquímica
SUMMARY:

Metabolic diseases, such as diabetes, hypertension and obesity, as well as neoplasms affect millions of people worldwide, characterizing a health and well-being problem for society. In this context, the protein SIRT6 appears, which has stood out as a potential therapeutic target for these pathologies, since its activity and regulation are related to the prevention of metabolic, cardiovascular diseases and cancer. SIRT6 is an NAD+- dependent deacylase and its activation protects against metabolic and ag- ing-related diseases, while its inhibition is considered a therapy against cancer. Investigating the modulation of this protein by specific molecules stands out as a promising area. Here, we explore the modulation of SIRT6 with the flavonoids quercetin (QUE) and its derivative isoquercetin (ISO), in addition to the gallate catechin (GC) and the substance trichostanin-A (TSA), providing a detailed view of the molecular interactions that lead to activation. or inhibition of that protein. To do this, we employ computa- tional methods from the perspective of Molecular Modeling through the Molecular Fractionation with Conjugated Caps (MFCC) technique and in accordance with the calculation parameters of the Density Functional Theory (DFT). The results displayed the energetic values of each amino acid residue that constitutes the binding pockets with the ligands analyzed for both complexes. These evaluations took place within a radius of up to
10.0 Å away from the modulators. The energetic analysis for the SIRT6- modulator complex demonstrated that (GC) and (TSA) were more signifi- cant in relation to (QUE) and (ISO). Our results provide valuable insights for the development of therapeutic strategies targeting SIRT6 with the potential to impact its regulation and open new perspectives in research into treatments for metabolic diseases and cancers.

COMMITTEE MEMBERS:
Presidente - 2985070 - JONAS IVAN NOBRE OLIVEIRA
Interno - 2412258 - EDILSON DANTAS DA SILVA JUNIOR
Interna - 1720860 - VANESSA DE PAULA SOARES RACHETTI