Banca de QUALIFICAÇÃO: JAERDYSON MEDEIROS DA ROCHA

Uma banca de QUALIFICAÇÃO de MESTRADO foi cadastrada pelo programa.
DISCENTE : JAERDYSON MEDEIROS DA ROCHA
DATA : 01/02/2019
HORA: 08:30
LOCAL: Sala II - DBF
TÍTULO:

In silico Analysis of Toremifen-GP1/GP2 Binding Complex in Ebola Virus

PALAVRAS-CHAVES:

Ebola. Molecular modeling. MFCC. Toremifene. GP1/GP2 complex.

PÁGINAS: 43
GRANDE ÁREA: Ciências Biológicas
ÁREA: Biofísica
RESUMO:

Ebola virus disease (EVD) is responsible for fatal outbreaks of infection, markedly by epidemics in West Africa. According to the WHO - World Health Organization, the outbreak of Ebola has produced more deaths in all sets. The envelope of this virus is structurally constituted by trimers of a glycoprotein (GP), which is cleaved by furins for the formation of GP1 and GP2 subunits. These are related to the anchoring and fusion of the virus in the host cell, respectively. The FL region (Fusion Loop region) contained in the GP2 subunit, also called the "fusion loop," behaves as the binding site KZ52 of a potent inhibitor, Toremifene. This ligand acts primarily as an estrogen receptor antagonist during hormone replacement cycles, however recent studies have demonstrated strong and effective binding to an Ebola virus glycoprotein. In fact, concentric thermal displacement tests indicate that the Toremifene emission of GP destabilization and prematurely triggers the activation of GP2, immediately to a fusion between the virus and the host endosome. In this dissertation, Molecular Modeling techniques, especially the Molecular Fractionation Method with Conjugated Caps (MFCC), there is no calculation of the binding energies between the amino acid residues of the GP glycoprotein of the Ebola virus and the drug Toremifeno, with no intention to characterize this system in interaction. A structural and energetic understanding of the toremifene-GP1/GP2 complex will reveal the inhibitory mechanism of this binder, subsequently; it will guide the development of, even nonexistent, anti-Ebola drugs.

MEMBROS DA BANCA:
Presidente - 2985070 - JONAS IVAN NOBRE OLIVEIRA
Interno - 2412258 - EDILSON DANTAS DA SILVA JUNIOR
Interno - 1379465 - GILBERTO CORSO