Interactions of pyrimidine derivatives with dihydrofolate reductase and thymidylate synthase: directions toward combating toxoplasmosis

Registro completo de metadados
MetadadosDescriçãoIdioma
Autor(es): dc.creatorAssis, Letícia C.-
Autor(es): dc.creatorSantos-Garcia, Letícia-
Autor(es): dc.creatorRamalho, Teodorico C.-
Autor(es): dc.creatorCunha, Elaine F. F. da-
Data de aceite: dc.date.accessioned2026-02-09T11:12:24Z-
Data de disponibilização: dc.date.available2026-02-09T11:12:24Z-
Data de envio: dc.date.issued2018-01-26-
Data de envio: dc.date.issued2018-01-26-
Data de envio: dc.date.issued2013-
Fonte completa do material: dc.identifierhttps://repositorio.ufla.br/handle/1/28486-
Fonte completa do material: dc.identifierhttp://www.eurekaselect.com/111642/article-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/capes/1135931-
Descrição: dc.descriptionToxoplasma gondii (T. gondii) is the most common cause of secondary central nervous system infection in immunocompromised persons such as AIDS patients. Dihydrofolate reductase and thymidylate synthase enzymes have been studied as attractive targets against parasitic diseases, since they are involved in cell proliferation and influence on DNA synthesis. In this paper, we propose three-dimensional structures of T. gondii dihydrofolate reductase and thymidylate synthase based on homology modeling. In addition, we assessed the interaction mode of pyrimidine analogs in the active site of T. gondii and human enzymes, in order to direct the planning of new compounds that can be used against toxoplasmosis. According to the docking studies, predicted pIC50 values for proposed compounds were higher than those of the experimentally most active compound.-
Idioma: dc.languageen-
Publicador: dc.publisherBentham Science-
Direitos: dc.rightsrestrictAccess-
???dc.source???: dc.sourceCurrent Bioactive Compounds-
Palavras-chave: dc.subjectMolecular modeling-
Palavras-chave: dc.subjectToxoplasmosis-
Palavras-chave: dc.subjectDihydrofolate reductase-
Palavras-chave: dc.subjectThymidylate synthase-
Palavras-chave: dc.subjectModelagem molecular-
Palavras-chave: dc.subjectToxoplasmose-
Palavras-chave: dc.subjectDiidrofolato redutase-
Palavras-chave: dc.subjectTimidilato sintase-
Título: dc.titleInteractions of pyrimidine derivatives with dihydrofolate reductase and thymidylate synthase: directions toward combating toxoplasmosis-
Tipo de arquivo: dc.typeArtigo-
Aparece nas coleções:Repositório Institucional da Universidade Federal de Lavras (RIUFLA)

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