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Sulfated Small Molecules Targeting EBV in B urkitt Lymphoma: From In Silico Screening to the Evidence of In Vitro Effect on Viral Episomal DNA
Author(s) -
Lima Raquel T.,
Seca Hugo,
Palmeira Andreia,
Fernandes Miguel X.,
Castro Felipe,
CorreiadaSilva Marta,
Nascimento Maria S. J.,
Sousa Emília,
Pinto Madalena,
Vasconcelos M. Helena
Publication year - 2013
Publication title -
chemical biology and drug design
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.59
H-Index - 77
eISSN - 1747-0285
pISSN - 1747-0277
DOI - 10.1111/cbdd.12109
Subject(s) - lytic cycle , in silico , virtual screening , epstein–barr virus , virus , biology , virology , in vitro , docking (animal) , small molecule , drug discovery , biochemistry , medicine , gene , nursing
Epstein– B arr virus (EBV) infects more than 90% of the world population. Following primary infection, E pstein– B arr 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 B urkitt lymphoma (BL). To date, there are no available drugs to target latent EBV , and the existing broad‐spectrum 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 R aji (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.