Banca de QUALIFICAÇÃO: ARANTHYA HEVELLY DE LIMA COSTA

Uma banca de QUALIFICAÇÃO de MESTRADO foi cadastrada pelo programa.
DISCENTE : ARANTHYA HEVELLY DE LIMA COSTA
DATA : 26/02/2018
HORA: 08:00
LOCAL: DEPTO DE BIOFÍSICA - CENTRO DE BIOCIÊNCIAS
TÍTULO:

ENERGY ANALYSIS OF THE INTERACTION OF ESTRADIOL AND DIETILESTILBESTROL WITH ERα

PALAVRAS-CHAVES:

Estradiol.  Diethylstilbestrol.  Estrogen  receptor  alpha.  Breast  cancer. MFCC. DFT.

PÁGINAS: 73
GRANDE ÁREA: Ciências Biológicas
ÁREA: Biofísica
RESUMO:

Breast cancer and a hormone-dependent disease, which has several different subtypes, patterns of gene expression and distinct manifestations (CHENG et al., 2002). According to the National Cancer Institute (INCA), in the year 2013, as deaths caused by the disease of 14,388, being 181 men and 14,207. The estimate for 2015 is 57,120 of new cases. Most breast cancers are ER + (estrogen receptor positive), ie, 17β-estradiol dependent. In this type of breast neoplasm, the number of ERα (estrogen receptor alpha subtype) is higher than  the number of ERβ (estrogen receptor beta subtype), evidencing the importance of the alpha subtype in this disease. The purpose of this work is to measure the individual binding  energies  of  ERα  residues  with  17β-estradiol  and  Diethylstilbestrol,  using  a computational simulation. For this purpose, it is employed as Doria of Functional Theory (DFT) and Molecular Fractionation Method with Conjugated Caps (MFCC). The results obtained with this work may help to characterize the interaction between the 17β-estradiol agonists and Diethylstilbestrol with ERα. The results obtained showed the residues with the most significant energy values are: GLU353, LEU391, MET343, LEU346, MET388, ARG394,  PHE404,  HIS524,  ASP411,  LEU525,  ARG352  and  ARG548. These  results help characterize, through the information obtained, an interaction between 17β-estradiol and Diethylstilbestrol with ERα and, in turn, can be used as a basis for studies, structural drug design, modulate existing drugs, such as for the design of new drugs.

MEMBROS DA BANCA:
Interno - 1880243 - DANIEL CARLOS FERREIRA LANZA
Presidente - 1352009 - UMBERTO LAINO FULCO