Banca de QUALIFICAÇÃO: KATYANNA SALES BEZERRA
Uma banca de QUALIFICAÇÃO de DOUTORADO foi cadastrada pelo programa.DISCENTE : KATYANNA SALES BEZERRA
DATA : 29/03/2018
HORA: 09:00
LOCAL: BioME
TÍTULO:
Energy Evaluation of the Interaction between Binding Domain of the Androgen Receptor and the Antiandrogenic Agent Cyproterone Acetate
PALAVRAS-CHAVES:
Prostate cancer. Androgen receptor. Cyproterone acetate. MFCC. DFT.
PÁGINAS: 55
GRANDE ÁREA: Ciências Biológicas
ÁREA: Biologia Geral
RESUMO:
Prostate cancer is the most common malignancy in men and one of the leading causes of cancer death. Great advances have been presented regarding the treatment and understanding of the biology of this disease. However, despite advances, the available therapies do not demonstrate the desired efficacy. It is known that androgen receptor (AR) activation is critical for the growth of prostate cancer at all points of the disease. Thus, therapies targeting this receptor, are widely used. In this context the action of antiandrogen agents has been clinically used for the treatment of the disease, however, they still do not present a desired response regarding the blockade of the cancer cells advance. In this work, quantum chemistry methods based on the Density Functional Theory (DFT) were used molecular fragmentation withconjugate caps (MFCC) approach to evaluate the interaction energy involving cyproterone acetate, an antiandrogenic compound, in complex with the receptor the AR carrying a T877A mutation. Preliminary results demonstrate that residues Leu704, Phe764, Leu873, Met745, Met742, Trp741, Phe876, Met749, Leu880, Gly708 and Arg752 are the most important for protein-ligand interaction. The computational methods used here emerge as an elegant and efficient alternative for the development of drugs that may present a better response to prostate cancer therapy.
MEMBROS DA BANCA:
Interno - 1507794 - RODRIGO JULIANI SIQUEIRA DALMOLIN
Interno - 1939184 - SANDRO JOSE DE SOUZA
Presidente - 1352009 - UMBERTO LAINO FULCO