Molecular modeling of the toxoplasma gondii adenosine kinase inhibitors

Registro completo de metadados
MetadadosDescriçãoIdioma
Autor(es): dc.creatorMancini, Daiana Teixeira-
Autor(es): dc.creatorCunha, Elaine F. F. da-
Autor(es): dc.creatorRamalho, Teodorico C.-
Autor(es): dc.creatorFreitas, Matheus P.-
Data de aceite: dc.date.accessioned2026-02-09T12:24:20Z-
Data de disponibilização: dc.date.available2026-02-09T12:24:20Z-
Data de envio: dc.date.issued2018-01-26-
Data de envio: dc.date.issued2018-01-26-
Data de envio: dc.date.issued2012-
Fonte completa do material: dc.identifierhttps://repositorio.ufla.br/handle/1/28478-
Fonte completa do material: dc.identifierhttp://www.eurekaselect.com/99345/chapter/molecular-modeling-of-the-toxoplasma-gondii-adenosine-kinase-inhibitor-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/capes/1160638-
Descrição: dc.descriptionToxoplasma gondii (T. gondii) is the most common cause of secondary central nervous system infection in immunocompromised persons such as AIDS patients. Since purine salvage is essential for T. gondii and for other parasitic protozoa, inhibition of this salvage should block parasite growth. T. gondii adenosine kinase (EC 2.7.1.20) is the major route of adenosine (purine nucleoside) metabolism in this parasite. Four-Dimensional Quantitative Structure-Activity Relationship (4D-QSAR) analysis was applied to a series of 41 inhibitors of T. gondii adenosine kinase. Optimized 4D-QSAR models were constructed by Genetic Algorithm (GA) optimization and partial least squares (PLS) fitting, and evaluated by the leave-one-out cross-validation method. Moreover, we have used docking approaches to study the binding orientations and predict binding affinities of some benzyladenosines with adenosine kinase.-
Idioma: dc.languageen-
Publicador: dc.publisherBentham Science-
Direitos: dc.rightsrestrictAccess-
???dc.source???: dc.sourceChemoinformatics: Directions Toward Combating Neglected Diseases-
Palavras-chave: dc.subjectToxoplasma gondii-
Palavras-chave: dc.subjectAdenosine kinase-
Palavras-chave: dc.subjectMolecular modeling-
Palavras-chave: dc.subjectAdenossina quinase-
Palavras-chave: dc.subjectModelagem molecular-
Título: dc.titleMolecular modeling of the toxoplasma gondii adenosine kinase inhibitors-
Tipo de arquivo: dc.typeArtigo-
Aparece nas coleções:Repositório Institucional da Universidade Federal de Lavras (RIUFLA)

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