Banca de DEFESA: AMANDA FERNANDES DE MEDEIROS

Uma banca de DEFESA de DOUTORADO foi cadastrada pelo programa.
STUDENT : AMANDA FERNANDES DE MEDEIROS
DATE: 25/10/2021
TIME: 14:00
LOCAL: Videoconferência
TITLE:

Functional aspects of vegetable peptides with anti-inflammatory effect on obesity and structural evaluation of the kunitz tamarindo seeds inhibitor

KEY WORDS:

Anti-Inflammatory Agents. Computational Biology. Immunomodulation. Tamarindus indica L.

PAGES: 84
BIG AREA: Ciências Biológicas
AREA: Bioquímica
SUMMARY:

Subclinical inflammation in overweight and obesity alters several metabolic pathways, with positive reinforcement for the accumulation of more adipose tissue and alterations in energy metabolism. Several studies have evaluated the anti-inflammatory and immunomodulatory effects of hydrolyzed proteins and plant peptides. However, it is still necessary to explore the mechanisms of action. Thus, in the first chapter of this thesis, a narrative review is presented, aiming at understanding the mechanisms of action of proteins and peptides on inflammation, present in the accumulation of adipose tissue. Thus, a search was carried out in databases, selecting studies that involved target metabolic pathways and responses of proteins or peptides, which favored the reduction of inflammatory cytokines and adipokines, as well as the polarization of macrophages to the M2 phenotype. In the second chapter, the in vitro and computer simulation studies (in silico) study with the purified trypsin inhibitor from tamarind seeds (pTTI) is presented. This protein has been studied in vitro and preclinical studies for the treatment of obesity, its complications, and associated comorbidities. The pTTI was sequenced again by MALDI-TOF/TOF, its homology modeling was obtained, and the interaction with the trypsin enzyme was evaluated through molecular dynamics (MD) simulation under physiological conditions. A further 75 amino acid residues have been identified. Homology modeling was performed by CONCOORD and validated by MolProbity and the four best conformations of the modeling were submitted to DM. Conformation No. 287 of model No. 56 was selected, considering the RMSD analysis and the interaction energy (-301.0128 kcal.mol-1). Residues Ile (54), Pro (57), Arg (59), Arg (63) and Glu (78) of the pTTI presented lower interaction energy, which reflects the residues with greater interaction with the enzyme trypsin and the residues of Arg are mainly involved in its electrostatic binding mechanism. Once aware of potential molecular targets of plant peptides for the treatment of obesity revealed through the narrative review, in addition to the structure and function of the pTTI through the in vitro and in vivo study, this in silico study demonstrated optimization of bioprospecting of pTTI through bioinformatics. Finally, the results found and the paths addressed favor the continuity of studies of this protein for applications in pre-clinical and clinical studies in the health area, aiming to contribute to the control of obesity, a serious public health problem.

BANKING MEMBERS:
Externa ao Programa - 2578619 - ANA HELONEIDA DE ARAUJO MORAIS
Externa ao Programa - 2646462 - BRUNA LEAL LIMA MACIEL
Externo à Instituição - HERMÓGENES DAVID DE OLIVEIRA - UFC
Externo ao Programa - 1544647 - MATHEUS DE FREITAS FERNANDES PEDROSA
Externa à Instituição - RICHELE JANAINA ARAUJO MACHADO - UNICHRISTUS
Externa ao Programa - 1452705 - SEVERINA CARLA VIEIRA CUNHA LIMA