Banca de QUALIFICAÇÃO: NATALIA VITORIA PEGADO DE MEDEIROS

Uma banca de QUALIFICAÇÃO de MESTRADO foi cadastrada pelo programa.
STUDENT : NATALIA VITORIA PEGADO DE MEDEIROS
DATE: 18/02/2021
TIME: 15:00
LOCAL: Videoconferência
TITLE:

Molecular dockings and molecular dynamics simulations/binding energy-MM-PBSA comparations, a study of Selective NMDA- GluN2B antagonists.

KEY WORDS:

NMDA antagonists: Glun2B; SNC; molecular dynamics.

PAGES: 104
BIG AREA: Ciências da Saúde
AREA: Farmácia
SUMMARY:

Mental disorders affect more than 700 million people worldwide, while neurological diseases, ranging from migraines to Alzheimer's, can reach 1 billion people. However, the treatment for these diseases is not yet efficient or does not reach the population with affordable prices. Thus, there is a need to seek alternatives to conventional treatments. NMDA receptor antagonists specific at the GluN2B subunit have been studied for the most diverse pathologies that affect the central nervous system (CNS), obtaining a great advantage over non-competitive antagonists such as ketamine, as they have a lower incidence of effects adverse effects and greater security. Thus, the development of new drugs becomes essential in the search for the ideal compound. In this work, the study of molecular dynamics was carried out for the most relevant molecular skeletons of the groups formed by the structural similarity calculations, as well as using calculations by MM-PBSA, in order to reveal structural characteristics responsible for the potency and selectivity of NMDA receptor antagonists of the GluN2B fraction.

BANKING MEMBERS:
Presidente - 1789788 - ADLEY ANTONINI NEVES DE LIMA
Externo ao Programa - 1959889 - DAVI SERRADELLA VIEIRA
Externo ao Programa - 2681542 - FABIANO DO ESPIRITO SANTO GOMES