Searching Anti-Zika Virus Activity in 1<i>H</i>-1,2,3-Triazole Based Compounds
Zika virus (ZIKV) is a mosquito-borne virus belonging to the <i>Flaviviridae</i> 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 tra...
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MDPI AG
2021-09-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/26/19/5869 |
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| author | Willyenne M. Dantas Valentina N. M. de Oliveira Diogo A. L. Santos Gustavo Seabra Prem P. Sharma Brijesh Rathi Lindomar J. Pena Ronaldo N. de Oliveira |
| author_facet | Willyenne M. Dantas Valentina N. M. de Oliveira Diogo A. L. Santos Gustavo Seabra Prem P. Sharma Brijesh Rathi Lindomar J. Pena Ronaldo N. de Oliveira |
| author_sort | Willyenne M. Dantas |
| collection | DOAJ |
| description | Zika virus (ZIKV) is a mosquito-borne virus belonging to the <i>Flaviviridae</i> 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 1<i>H</i>-1,2,3-triazole, naphthoquinone and phthalimide groups. Most compounds showed low cytotoxicity to epithelial cells, specially the <b>3b</b> compound. After screening with all compounds, <b>4b</b> was the most active against ZIKV in the post-infection test, obtaining a 50% inhibition concentration (IC<sub>50</sub>) 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, <b>4b</b> was suggested with significant binding affinity for the NS5 RdRp protein target, which was further corroborated by molecular dynamic simulation studies. |
| first_indexed | 2024-03-10T06:55:15Z |
| format | Article |
| id | doaj.art-ac8e3a0c493b46548eea4d49b299eaa7 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-10T06:55:15Z |
| publishDate | 2021-09-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-ac8e3a0c493b46548eea4d49b299eaa72023-11-22T16:33:52ZengMDPI AGMolecules1420-30492021-09-012619586910.3390/molecules26195869Searching Anti-Zika Virus Activity in 1<i>H</i>-1,2,3-Triazole Based CompoundsWillyenne M. Dantas0Valentina N. M. de Oliveira1Diogo A. L. Santos2Gustavo Seabra3Prem P. Sharma4Brijesh Rathi5Lindomar J. Pena6Ronaldo N. de Oliveira7Department of Chemistry, Federal Rural University of Pernambuco, Recife 52171-900, BrazilInstituto Federal de Educação Ciência e Tecnologia de Pernambuco, Campus Ipojuca, Ipojuca 55590-000, BrazilDepartment of Fundamental Chemistry, Federal University of Pernambuco, Recife 50740-540, BrazilDepartment of Fundamental Chemistry, Federal University of Pernambuco, Recife 50740-540, BrazilLaboratory for Translational Chemistry and Drug Discovery, Department of Chemistry, Hansraj College, University of Delhi, Delhi 110007, IndiaLaboratory for Translational Chemistry and Drug Discovery, Department of Chemistry, Hansraj College, University of Delhi, Delhi 110007, IndiaDepartment of Virology, Aggeu Magalhães Institute (IAM), Oswaldo Cruz Foundation (Fiocruz), Recife 50670-420, BrazilDepartment of Chemistry, Federal Rural University of Pernambuco, Recife 52171-900, BrazilZika virus (ZIKV) is a mosquito-borne virus belonging to the <i>Flaviviridae</i> 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 1<i>H</i>-1,2,3-triazole, naphthoquinone and phthalimide groups. Most compounds showed low cytotoxicity to epithelial cells, specially the <b>3b</b> compound. After screening with all compounds, <b>4b</b> was the most active against ZIKV in the post-infection test, obtaining a 50% inhibition concentration (IC<sub>50</sub>) 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, <b>4b</b> was suggested with significant binding affinity for the NS5 RdRp protein target, which was further corroborated by molecular dynamic simulation studies.https://www.mdpi.com/1420-3049/26/19/5869Zika viruscytotoxicity1<i>H</i>-1,2,3-triazolesphthalimidenaphthoquinoneMD simulation |
| spellingShingle | Willyenne M. Dantas Valentina N. M. de Oliveira Diogo A. L. Santos Gustavo Seabra Prem P. Sharma Brijesh Rathi Lindomar J. Pena Ronaldo N. de Oliveira Searching Anti-Zika Virus Activity in 1<i>H</i>-1,2,3-Triazole Based Compounds Molecules Zika virus cytotoxicity 1<i>H</i>-1,2,3-triazoles phthalimide naphthoquinone MD simulation |
| title | Searching Anti-Zika Virus Activity in 1<i>H</i>-1,2,3-Triazole Based Compounds |
| title_full | Searching Anti-Zika Virus Activity in 1<i>H</i>-1,2,3-Triazole Based Compounds |
| title_fullStr | Searching Anti-Zika Virus Activity in 1<i>H</i>-1,2,3-Triazole Based Compounds |
| title_full_unstemmed | Searching Anti-Zika Virus Activity in 1<i>H</i>-1,2,3-Triazole Based Compounds |
| title_short | Searching Anti-Zika Virus Activity in 1<i>H</i>-1,2,3-Triazole Based Compounds |
| title_sort | searching anti zika virus activity in 1 i h i 1 2 3 triazole based compounds |
| topic | Zika virus cytotoxicity 1<i>H</i>-1,2,3-triazoles phthalimide naphthoquinone MD simulation |
| url | https://www.mdpi.com/1420-3049/26/19/5869 |
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