Banca de QUALIFICAÇÃO: ROBERT MAIORY ALARCON FLORES

Uma banca de QUALIFICAÇÃO de MESTRADO foi cadastrada pelo programa.
DISCENTE : ROBERT MAIORY ALARCON FLORES
DATA : 28/05/2021
HORA: 14:00
LOCAL: videoconferência - https://meet.google.com/xfn-iuzp-sxt
TÍTULO:

Structural analysis and identification of new inhibitor candidates against FAM3C (ILEI), a potential therapeutic target for cancer treatment

PÁGINAS: 20
GRANDE ÁREA: Ciências Exatas e da Terra
ÁREA: Química
SUBÁREA: Físico-Química
ESPECIALIDADE: Química Teórica
RESUMO:

From the knowledge on the existence of the FAM3 family, studies focused on the analysis of the four proteins (FAM3A, FAM3B, FAM3C and FAM3D) have grown considerably in the last decades. The first studies point out that these four proteins are quite distinct from any known protein, having relevant similarity only between the family itself, which aroused the need for analyzes on the structure and function of the FAM3 family in the human organism. The need for studies on this protein family has increased over time due to the fact that some of its members are involved in important processes in the body, mainly FAM3B and FAM3C. FAM3B has become known as a pancreatic-derived factor (PANDER), and is widely studied as an effector of type 2 diabetes mellitus. FAM3C is also known as an inducer of epithelial-mesenchymal transition (EMT) and is similar to the interleukin ILEI (interleukin-like EMT inducer). However, despite the growing studies on the role of FAM3B and FAM3C, which reveal expression in many tissues and an association with several diseases, little is known on their action and possible inhibitors. So far, only one computational study focusing on the search for possible inhibitors is found in the literature, but only for one member of the FAM3 family, FAM3B. Therefore, this work seeks to carry out a computational study to find new possible inhibitors for the FAM3C protein, which is very important in the studies of the FAM3 family members, since it can be a therapeutic target for the metastasis process. In this study, a structural study of the target of interest (FAM3C) at its active form (monomer or dimer) was carried out, as well as possible binding sites were investigated. After structural analyzes on the target, identification of possible FAM3C ligands was also performed and these candidates for FAM3C ligands were subjected to analyzes of pharmacokinetic properties. Thus, it was possible to determine from the structural analyzes the importance of dimerization for the stability of FAM3C and the most likely binding site. In addition, four substances were identified as potential inhibitors from the results of molecular docking, visual inspection of the main interactions and analysis of pharmacokinetic properties.

MEMBROS DA BANCA:
Presidente - Interno ao Programa - 149.405.258-05 - KATHIA MARIA HONORIO - USP
Membro Titular - Examinador(a) Interno ao Programa - 1544394 - PAULA HOMEM DE MELLO
Membro Titular - Examinador(a) Externo à Instituição - HUMBERTO MIGUEL GARAY MALPARTIDA - USP
Membro Suplente - Examinador(a) Interno ao Programa - 1764199 - RODRIGO MAGHDISSIAN CORDEIRO
Membro Suplente - Examinador(a) Interno ao Programa - 1544379 - ANDERSON ORZARI RIBEIRO