Sulfated small molecules targeting EBV in Burkitt lymphoma: from in silico screening to the evidence of in vitro effect on viral episomal DNA

Detalhes bibliográficos
Autor(a) principal: Lima, Raquel T.
Data de Publicação: 2013
Outros Autores: Seca, Hugo, Palmeira, Andreia, Fernandes, Miguel X., Castro, Felipe, Correia-da-Silva, Marta, Nascimento, Maria S. J., Sousa, Emília, Pinto, Madalena, Vasconcelos, M. Helena
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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spelling 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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