Sulfated small molecules targeting EBV in Burkitt lymphoma: from in silico screening to the evidence of in vitro effect on viral episomal DNA
Autor(a) principal: | |
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Data de Publicação: | 2013 |
Outros Autores: | , , , , , , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
Texto Completo: | http://hdl.handle.net/10400.13/5023 |
Resumo: | Epstein–Barr virus (EBV) infects more than 90% of the world population. Following primary infection, Epstein– Barr virus persists in an asymptomatic latent state. Occasionally, it may switch to lytic infection. Latent EBV infection has been associated with several diseases, such as Burkitt lymphoma (BL). To date, there are no available drugs to target latent EBV, and the existing broad-spec trum antiviral drugs are mainly active against lytic viral infection. Thus, using computational molecular docking, a virtual screen of a library of small molecules, including xanthones and flavonoids (described with potential for antiviral activity against EBV), was carried out targeting EBV proteins. The more interesting molecules were selected for further computational analysis, and sub sequently, the compounds were tested in the Raji (BL) cell line, to evaluate their activity against latent EBV. This work identified three novel sulfated small molecules capable of decreasing EBV levels in a BL. Therefore, the in silico screening presents a good approach for the development of new anti-EBV agents. |
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Sulfated small molecules targeting EBV in Burkitt lymphoma: from in silico screening to the evidence of in vitro effect on viral episomal DNAAntiviralsBurkitt lymphomaEpstein–Barr virusSulfated small moleculesVirtual screening.Faculdade de ciências Exatas e da EngenhariaEpstein–Barr virus (EBV) infects more than 90% of the world population. Following primary infection, Epstein– Barr virus persists in an asymptomatic latent state. Occasionally, it may switch to lytic infection. Latent EBV infection has been associated with several diseases, such as Burkitt lymphoma (BL). To date, there are no available drugs to target latent EBV, and the existing broad-spec trum antiviral drugs are mainly active against lytic viral infection. Thus, using computational molecular docking, a virtual screen of a library of small molecules, including xanthones and flavonoids (described with potential for antiviral activity against EBV), was carried out targeting EBV proteins. The more interesting molecules were selected for further computational analysis, and sub sequently, the compounds were tested in the Raji (BL) cell line, to evaluate their activity against latent EBV. This work identified three novel sulfated small molecules capable of decreasing EBV levels in a BL. Therefore, the in silico screening presents a good approach for the development of new anti-EBV agents.WileyDigitUMaLima, Raquel T.Seca, HugoPalmeira, AndreiaFernandes, Miguel X.Castro, FelipeCorreia-da-Silva, MartaNascimento, Maria S. J.Sousa, EmíliaPinto, MadalenaVasconcelos, M. Helena2023-02-09T16:00:00Z20132013-01-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10400.13/5023engLima, R. T., Seca, H., Palmeira, A., Fernandes, M. X., Castro, F., Correia‐da‐Silva, M., ... & Vasconcelos, M. H. (2013). Sulfated small molecules targeting EBV in Burkitt lymphoma: from in silico screening to the evidence of in vitro effect on viral episomal DNA. Chemical Biology & Drug Design, 81(5), 631-644.10.1111/cbdd.12109info:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2023-02-12T03:31:11ZPortal AgregadorONG |
dc.title.none.fl_str_mv |
Sulfated small molecules targeting EBV in Burkitt lymphoma: from in silico screening to the evidence of in vitro effect on viral episomal DNA |
title |
Sulfated small molecules targeting EBV in Burkitt lymphoma: from in silico screening to the evidence of in vitro effect on viral episomal DNA |
spellingShingle |
Sulfated small molecules targeting EBV in Burkitt lymphoma: from in silico screening to the evidence of in vitro effect on viral episomal DNA Lima, Raquel T. Antivirals Burkitt lymphoma Epstein–Barr virus Sulfated small molecules Virtual screening . Faculdade de ciências Exatas e da Engenharia |
title_short |
Sulfated small molecules targeting EBV in Burkitt lymphoma: from in silico screening to the evidence of in vitro effect on viral episomal DNA |
title_full |
Sulfated small molecules targeting EBV in Burkitt lymphoma: from in silico screening to the evidence of in vitro effect on viral episomal DNA |
title_fullStr |
Sulfated small molecules targeting EBV in Burkitt lymphoma: from in silico screening to the evidence of in vitro effect on viral episomal DNA |
title_full_unstemmed |
Sulfated small molecules targeting EBV in Burkitt lymphoma: from in silico screening to the evidence of in vitro effect on viral episomal DNA |
title_sort |
Sulfated small molecules targeting EBV in Burkitt lymphoma: from in silico screening to the evidence of in vitro effect on viral episomal DNA |
author |
Lima, Raquel T. |
author_facet |
Lima, Raquel T. Seca, Hugo Palmeira, Andreia Fernandes, Miguel X. Castro, Felipe Correia-da-Silva, Marta Nascimento, Maria S. J. Sousa, Emília Pinto, Madalena Vasconcelos, M. Helena |
author_role |
author |
author2 |
Seca, Hugo Palmeira, Andreia Fernandes, Miguel X. Castro, Felipe Correia-da-Silva, Marta Nascimento, Maria S. J. Sousa, Emília Pinto, Madalena Vasconcelos, M. Helena |
author2_role |
author author author author author author author author author |
dc.contributor.none.fl_str_mv |
DigitUMa |
dc.contributor.author.fl_str_mv |
Lima, Raquel T. Seca, Hugo Palmeira, Andreia Fernandes, Miguel X. Castro, Felipe Correia-da-Silva, Marta Nascimento, Maria S. J. Sousa, Emília Pinto, Madalena Vasconcelos, M. Helena |
dc.subject.por.fl_str_mv |
Antivirals Burkitt lymphoma Epstein–Barr virus Sulfated small molecules Virtual screening . Faculdade de ciências Exatas e da Engenharia |
topic |
Antivirals Burkitt lymphoma Epstein–Barr virus Sulfated small molecules Virtual screening . Faculdade de ciências Exatas e da Engenharia |
description |
Epstein–Barr virus (EBV) infects more than 90% of the world population. Following primary infection, Epstein– Barr virus persists in an asymptomatic latent state. Occasionally, it may switch to lytic infection. Latent EBV infection has been associated with several diseases, such as Burkitt lymphoma (BL). To date, there are no available drugs to target latent EBV, and the existing broad-spec trum antiviral drugs are mainly active against lytic viral infection. Thus, using computational molecular docking, a virtual screen of a library of small molecules, including xanthones and flavonoids (described with potential for antiviral activity against EBV), was carried out targeting EBV proteins. The more interesting molecules were selected for further computational analysis, and sub sequently, the compounds were tested in the Raji (BL) cell line, to evaluate their activity against latent EBV. This work identified three novel sulfated small molecules capable of decreasing EBV levels in a BL. Therefore, the in silico screening presents a good approach for the development of new anti-EBV agents. |
publishDate |
2013 |
dc.date.none.fl_str_mv |
2013 2013-01-01T00:00:00Z 2023-02-09T16:00:00Z |
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.uri.fl_str_mv |
http://hdl.handle.net/10400.13/5023 |
url |
http://hdl.handle.net/10400.13/5023 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
Lima, R. T., Seca, H., Palmeira, A., Fernandes, M. X., Castro, F., Correia‐da‐Silva, M., ... & Vasconcelos, M. H. (2013). Sulfated small molecules targeting EBV in Burkitt lymphoma: from in silico screening to the evidence of in vitro effect on viral episomal DNA. Chemical Biology & Drug Design, 81(5), 631-644. 10.1111/cbdd.12109 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
application/pdf |
dc.publisher.none.fl_str_mv |
Wiley |
publisher.none.fl_str_mv |
Wiley |
dc.source.none.fl_str_mv |
reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação instacron:RCAAP |
instname_str |
Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
instacron_str |
RCAAP |
institution |
RCAAP |
reponame_str |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
collection |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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1777302009970425856 |