Searching Anti-Zika Virus Activity in 1H-1,2,3-Triazole Based Compounds
Autor(a) principal: | |
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Data de Publicação: | 2021 |
Outros Autores: | , , , , , , |
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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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 |
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por |
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openAccess |
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