Searching Anti-Zika Virus Activity in 1H-1,2,3-Triazole Based Compounds

Detalhes bibliográficos
Autor(a) principal: Dantas, Willyenne M
Data de Publicação: 2021
Outros Autores: Oliveira, Valentina N M de, Santos, Diogo A L, Seabra, Gustavo, Sharma, Prem P, Rathi, Brijesh, Pena, Lindomar J, Oliveira, Ronaldo N de
Tipo de documento: Artigo
Idioma: por
Título da fonte: Repositório Institucional da FIOCRUZ (ARCA)
Texto Completo: https://www.arca.fiocruz.br/handle/icict/58287
Resumo: Fundação Oswaldo Cruz. Instituto Aggeu Magalhães. Departamento de Virologia, Recife, PE, Brasil. Instituto Federal de Educação Ciência e Tecnologia de Pernambuco, Ipojuca, PE, Brazil. Department of Fundamental Chemistry, Federal University of Pernambuco, Recife, PE, Brazil. Laboratory for Translational Chemistry and Drug Discovery, Department of Chemistry, Hansraj College, University of Delhi, Delhi, India.
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spelling Dantas, Willyenne MOliveira, Valentina N M deSantos, Diogo A LSeabra, GustavoSharma, Prem PRathi, BrijeshPena, Lindomar JOliveira, Ronaldo N de2023-05-10T14:13:27Z2023-05-10T14:13:27Z2021DANTAS, Willyenne M. et al. Searching Anti-Zika Virus Activity in 1H-1,2,3-Triazole Based Compounds. MDPI. [S. l.], p. 1-16. 28 set. 2021.1420-3049https://www.arca.fiocruz.br/handle/icict/5828710.3390/molecules261958691420-3049porAnimalsAntiviral AgentsChlorocebus aethiopsHigh-Throughput Screening AssaysMolecular Docking SimulationTriazolesVero CellsVirus ReplicationZika VirusZika Virus Infection1H-1,2,3-triazolesMD simulationZika viruscytotoxicitynaphthoquinonephthalimideSearching Anti-Zika Virus Activity in 1H-1,2,3-Triazole Based Compoundsinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleFundação Oswaldo Cruz. Instituto Aggeu Magalhães. Departamento de Virologia, Recife, PE, Brasil. Instituto Federal de Educação Ciência e Tecnologia de Pernambuco, Ipojuca, PE, Brazil. Department of Fundamental Chemistry, Federal University of Pernambuco, Recife, PE, Brazil. Laboratory for Translational Chemistry and Drug Discovery, Department of Chemistry, Hansraj College, University of Delhi, Delhi, India.Zika virus (ZIKV) is a mosquito-borne virus belonging to the Flaviviridae family and is responsible for an exanthematous disease and severe neurological manifestations, such as microcephaly and Guillain-Barré syndrome. ZIKV has a single strand positive-sense RNA genome that is translated into structural and non-structural (NS) proteins. Although it has become endemic in most parts of the tropical world, Zika still does not have a specific treatment. Thus, in this work we evaluate the cytotoxicity and antiviral activities of 14 hybrid compounds formed by 1H-1,2,3-triazole, naphthoquinone and phthalimide groups. Most compounds showed low cytotoxicity to epithelial cells, specially the 3b compound. After screening with all compounds, 4b was the most active against ZIKV in the post-infection test, obtaining a 50% inhibition concentration (IC50) of 146.0 µM and SI of 2.3. There were no significant results for the pre-treatment test. According to the molecular docking compound, 4b was suggested with significant binding affinity for the NS5 RdRp protein target, which was further corroborated by molecular dynamic simulation studies.info:eu-repo/semantics/openAccessreponame:Repositório Institucional da FIOCRUZ (ARCA)instname:Fundação Oswaldo Cruz (FIOCRUZ)instacron:FIOCRUZORIGINALSearching Anti-Zika Virus Activity in 1H-1,2,3-Triazole.pdfSearching Anti-Zika Virus Activity in 1H-1,2,3-Triazole.pdfapplication/pdf3213204https://www.arca.fiocruz.br/bitstream/icict/58287/2/Searching%20Anti-Zika%20Virus%20Activity%20in%201H-1%2c2%2c3-Triazole.pdf9c7e79323658dc7dfa176aab2d9d50e1MD52LICENSElicense.txttext/plain1748https://www.arca.fiocruz.br/bitstream/icict/58287/1/license.txt8a4605be74aa9ea9d79846c1fba20a33MD51icict/582872023-05-17 11:59:37.334oai:www.arca.fiocruz.br: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Repositório InstitucionalPUBhttps://www.arca.fiocruz.br/oai/requestrepositorio.arca@fiocruz.bropendoar:21352023-05-17T14:59:37Repositório Institucional da FIOCRUZ (ARCA) - Fundação Oswaldo Cruz (FIOCRUZ)false
dc.title.en_US.fl_str_mv Searching Anti-Zika Virus Activity in 1H-1,2,3-Triazole Based Compounds
title Searching Anti-Zika Virus Activity in 1H-1,2,3-Triazole Based Compounds
spellingShingle Searching Anti-Zika Virus Activity in 1H-1,2,3-Triazole Based Compounds
Dantas, Willyenne M
Animals
Antiviral Agents
Chlorocebus aethiops
High-Throughput Screening Assays
Molecular Docking Simulation
Triazoles
Vero Cells
Virus Replication
Zika Virus
Zika Virus Infection
1H-1,2,3-triazoles
MD simulation
Zika virus
cytotoxicity
naphthoquinone
phthalimide
title_short Searching Anti-Zika Virus Activity in 1H-1,2,3-Triazole Based Compounds
title_full Searching Anti-Zika Virus Activity in 1H-1,2,3-Triazole Based Compounds
title_fullStr Searching Anti-Zika Virus Activity in 1H-1,2,3-Triazole Based Compounds
title_full_unstemmed Searching Anti-Zika Virus Activity in 1H-1,2,3-Triazole Based Compounds
title_sort Searching Anti-Zika Virus Activity in 1H-1,2,3-Triazole Based Compounds
author Dantas, Willyenne M
author_facet Dantas, Willyenne M
Oliveira, Valentina N M de
Santos, Diogo A L
Seabra, Gustavo
Sharma, Prem P
Rathi, Brijesh
Pena, Lindomar J
Oliveira, Ronaldo N de
author_role author
author2 Oliveira, Valentina N M de
Santos, Diogo A L
Seabra, Gustavo
Sharma, Prem P
Rathi, Brijesh
Pena, Lindomar J
Oliveira, Ronaldo N de
author2_role author
author
author
author
author
author
author
dc.contributor.author.fl_str_mv Dantas, Willyenne M
Oliveira, Valentina N M de
Santos, Diogo A L
Seabra, Gustavo
Sharma, Prem P
Rathi, Brijesh
Pena, Lindomar J
Oliveira, Ronaldo N de
dc.subject.mesh.en_US.fl_str_mv Animals
Antiviral Agents
Chlorocebus aethiops
High-Throughput Screening Assays
Molecular Docking Simulation
Triazoles
Vero Cells
Virus Replication
Zika Virus
Zika Virus Infection
topic Animals
Antiviral Agents
Chlorocebus aethiops
High-Throughput Screening Assays
Molecular Docking Simulation
Triazoles
Vero Cells
Virus Replication
Zika Virus
Zika Virus Infection
1H-1,2,3-triazoles
MD simulation
Zika virus
cytotoxicity
naphthoquinone
phthalimide
dc.subject.en.en_US.fl_str_mv 1H-1,2,3-triazoles
MD simulation
Zika virus
cytotoxicity
naphthoquinone
phthalimide
description Fundação Oswaldo Cruz. Instituto Aggeu Magalhães. Departamento de Virologia, Recife, PE, Brasil. Instituto Federal de Educação Ciência e Tecnologia de Pernambuco, Ipojuca, PE, Brazil. Department of Fundamental Chemistry, Federal University of Pernambuco, Recife, PE, Brazil. Laboratory for Translational Chemistry and Drug Discovery, Department of Chemistry, Hansraj College, University of Delhi, Delhi, India.
publishDate 2021
dc.date.issued.fl_str_mv 2021
dc.date.accessioned.fl_str_mv 2023-05-10T14:13:27Z
dc.date.available.fl_str_mv 2023-05-10T14:13:27Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.citation.fl_str_mv DANTAS, Willyenne M. et al. Searching Anti-Zika Virus Activity in 1H-1,2,3-Triazole Based Compounds. MDPI. [S. l.], p. 1-16. 28 set. 2021.
dc.identifier.uri.fl_str_mv https://www.arca.fiocruz.br/handle/icict/58287
dc.identifier.issn.en_US.fl_str_mv 1420-3049
dc.identifier.doi.none.fl_str_mv 10.3390/molecules26195869
dc.identifier.eissn.none.fl_str_mv 1420-3049
identifier_str_mv DANTAS, Willyenne M. et al. Searching Anti-Zika Virus Activity in 1H-1,2,3-Triazole Based Compounds. MDPI. [S. l.], p. 1-16. 28 set. 2021.
1420-3049
10.3390/molecules26195869
url https://www.arca.fiocruz.br/handle/icict/58287
dc.language.iso.fl_str_mv por
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dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
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dc.source.none.fl_str_mv reponame:Repositório Institucional da FIOCRUZ (ARCA)
instname:Fundação Oswaldo Cruz (FIOCRUZ)
instacron:FIOCRUZ
instname_str Fundação Oswaldo Cruz (FIOCRUZ)
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institution FIOCRUZ
reponame_str Repositório Institucional da FIOCRUZ (ARCA)
collection Repositório Institucional da FIOCRUZ (ARCA)
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