Banca de DEFESA: MOAN JÉFTER FERNANDES COSTA

Uma banca de DEFESA de DOUTORADO foi cadastrada pelo programa.
STUDENT : MOAN JÉFTER FERNANDES COSTA
DATE: 27/06/2022
TIME: 08:00
LOCAL: DEPARTAMENTO DE ODONTOLOGIA - AUDITÓRIO
TITLE:

IN SILICO AFFINITY BETWEEN ANALGESIC/ANTI-INFLAMMATORY DRUGS AND THE TRANSIENT RECEPTOR POTENTIAL A1 TO PREDICT POTENTIAL PHARMACOLOGICAL MANAGING APPROACHES FOR BLEACHING SENSITIVITY 

KEY WORDS:

Computer simulation; Tooth whitening; Pharmacology; Drug treatment.

PAGES: 63
BIG AREA: Ciências da Saúde
AREA: Odontologia
SUMMARY:

Introduction: Reducing in-office tooth bleaching sensitivity represents a challenge for professionals. Researchers have associated the block of the pain receptor TRPA1 with reducing bleaching sensitivity. However, the chemical affinity of analgesic/anti-inflammatory drugs to the TRPA1 needs to be verified. Objective: To perform a virtual screening of multiple drugs (analgesic and anti-inflammatory drugs) to verify chemical affinity for the TRPA1 receptor. Methodology: The crystal structure of the TRPA1 receptor proteins was retrieved from the Protein Data Bank. The SMILES codes of the ligands were extracted from PubChem. The binding energy of the complex was obtained in ∆G - kcal/mol by AutoDock Vina© and replicated in the webservers SwissDock©, Dockthor©, and CbDock©. LigPlus© confirmed the binding sites. Results: Although the receptor antagonists analyzed showed high affinity, codeine and dexamethasone showed regularity among all servers, even showing binding energy values of -7.9 kcal/mol for codeine and -8.1 kcal/mol for dexamethasone. Conclusion: Codeine and dexamethasone may be potential drugs to manage tooth bleaching sensitivity if they reach the dental pulp TRPA1 receptor.

BANKING MEMBERS:
Presidente - 2042290 - BONIEK CASTILLO DUTRA BORGES
Interna - 2292784 - ISAUREMI VIEIRA DE ASSUNCAO
Externa ao Programa - 2966816 - MARILIA REGALADO GALVAO RABELO CALDAS
Externa à Instituição - DÉBORA MICHELLE GONÇALVES DE AMORIM - UNP
Externa à Instituição - LETÍCIA VIRGINIA DE FREITAS CHAVES - UNP