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Síntese de ligantes da enzima NS3 helicase do Vírus Zika baseado em fragmentos

Grant number: 22/07493-1
Support Opportunities:Scholarships in Brazil - Scientific Initiation
Effective date (Start): September 01, 2022
Effective date (End): August 31, 2023
Field of knowledge:Physical Sciences and Mathematics - Chemistry - Organic Chemistry
Principal Investigator:Arlene Gonçalves Corrêa
Grantee:Ana Claudia Bergler Bernardes
Host Institution: Centro de Ciências Exatas e de Tecnologia (CCET). Universidade Federal de São Carlos (UFSCAR). São Carlos , SP, Brazil
Associated research grant:13/07600-3 - CIBFar - Center for Innovation in Biodiversity and Drug Discovery, AP.CEPID


The Zika virus, emerging in Brazil since 2015, is transmitted mainly via the bite of female Aedes aegypti mosquitoes and usually causes mild symptoms. However, there are other clinical manifestations of the disease such as the triggering of neurological problems that demonstrate the need for the development of antivirals as more effective therapeutic approaches. Therefore, a high-throughput screening (HTS) study identified a hydantoin and an oxadiazole as promising fragments to compose ligands of the NS3 helicase, which is a crucial component for the processing of viral polypeptides and genomic replication of the Zika Virus. Aiming to contribute to this study, this project proposes the synthesis of possible inhibitors containing the mentioned fragments. For the synthesis of hydantoins, it will be used some more traditional methods such as Bucherer-Bergs or Biltz reactions. As for the synthesis of oxadiazole, the most current methodologies apply the use of hydroxylamines and/or nitriles. Based on these synthetic methods, we will investigate greener conditions, including alternative solvents, decreased reaction time, and reduced waste. The biological activity of the synthetic compounds against NS3-helicase will be evaluated.(AU)

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