Detalhes bibliográficos
| Resumo: | The ligand-based virtual screening of an original chemical library, using atypical antipsychotics as query compounds led to the identification of a novel scaffold with inhibitory activity at the 5-HT(2A) serotonin receptor. The hit compounds were confirmed by pharmacological evaluation at the 5-HT(2A) receptor and complemented by the selection of other representatives of the same chemical family within our chemical library. A promising scaffold of 6-(pyperazin-1-yl) purine was identified, and the binding mode is illustrated with an automated docking exploration on a homology built model of the 5-HT(2A) receptor. The present results constitute an excellent starting point for the discovery of new chemical entities with antipsychotic activity. |
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| Autores principais: | Gutierrez-de-Teran, Hugo |
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| Outros Autores: | Correia, Carla; Rodriguez, David; Carvalho, M. Alice; Brea, Jose; Isabel Cadavid, Maria; Isabel Loza, Maria; Proença, M. Fernanda R. P.; Areias, Filipe |
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| Assunto: | Antipsychotic Virtual screening Purine Serotonin receptors 5-HT(2A) Drug design Ciências Naturais::Ciências Químicas |
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| Ano: | 2009 |
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| País: | Portugal |
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| Tipo de documento: | artigo |
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| Tipo de acesso: | acesso restrito |
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| Instituição associada: | Universidade do Minho |
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| Idioma: | inglês |
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| Origem: | RepositóriUM - Universidade do Minho |
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