Banca de QUALIFICAÇÃO: ROBERTO CARLOS NAVARRO QUIROZ

Uma banca de QUALIFICAÇÃO de DOUTORADO foi cadastrada pelo programa.
DISCENTE : ROBERTO CARLOS NAVARRO QUIROZ
DATA : 30/11/2021
HORA: 14:00
LOCAL: santo André - a Distância
TÍTULO:

Efeitos da fosforilação e o mecanismo molecular com o hDAT e o transporte de dopamina (absorção e efluxo).

PÁGINAS: 100
GRANDE ÁREA: Ciências Biológicas
ÁREA: Biofísica
SUBÁREA: Biofísica Molecular
RESUMO:

hDAT plays an important role in the modulation of the dopamine  Influx /Efflux and it may be involved in the mechanism of certain neurodegenerative diseases such as   Parkinson's disease.  Macromolecules adopt many conformations in solution dependent on their structure and shape, which determine their dynamics and function. Considering  this context,  several studies have reported metasatestates for Dopamine Transport: outward-facing open state (OFo), the outward-facing closed state (OFc), the holo-occluded state closed (holo), and the inward-facing open state (IFo). Experimental assays  showed that  different phosphorylation conditions can affect the rate of dopamine absorption. This work presents a protocol using hybrid simulation methods to study the conformational dynamics and stability of these metasates of hDat under phosphorylation conditions focusing on understanding the relationship between: metastases, dopamine transport  and  these  post-transcriptional modification. We present here the results obtained with our hybrid simulations to correlate its phosphorylation with the movements and formation of metastates described in the literature. We show which movements promote which of the states, the transitions between them, and a free energy analysis considering four different phosphorylation conditions of hDAT as described in the literature.

MEMBROS DA BANCA:
Presidente - Interno ao Programa - 1563992 - ANA LÍGIA SCOTT
Membro Titular - Examinador(a) Externo ao Programa - 1763495 - WANIUS JOSE GARCIA DA SILVA
Membro Titular - Examinador(a) Externo à Instituição - MAURICIO G.S. COSTA - FIOCRUZ - RJ
Membro Suplente - Examinador(a) Interno ao Programa - 1675708 - DANIELE RIBEIRO DE ARAUJO