Utilize este identificador para referenciar este registo:
https://hdl.handle.net/1822/72846
Título: | Identification of novel scaffolds from an original chemical library as potential Antipsychotics |
Autor(es): | Gutierrez-de-Teran, Hugo Correia, Carla Rodriguez, David Carvalho, M. Alice Brea, Jose Isabel Cadavid, Maria Isabel Loza, Maria Proença, M. Fernanda R. P. Areias, Filipe |
Palavras-chave: | Antipsychotic Virtual screening Purine Serotonin receptors 5-HT(2A) Drug design |
Data: | 1-Ago-2009 |
Editora: | Wiley-VCH Verlag |
Revista: | Qsar & Combinatorial Science |
Citação: | Gutiérrez‐de‐Terán, H., Correia, C., Rodríguez, D., Carvalho, M. A., Brea, J., Cadavid, M. I., et al. (2009). Identification of Novel Scaffolds from an Original Chemical Library as Potential Antipsychotics. QSAR & Combinatorial Science, 28(8), 856-860 |
Resumo(s): | 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. |
Tipo: | Artigo |
URI: | https://hdl.handle.net/1822/72846 |
DOI: | 10.1002/qsar.200860198 |
ISSN: | 1611-020X |
e-ISSN: | 1611-0218 |
Versão da editora: | https://onlinelibrary.wiley.com/doi/abs/10.1002/qsar.200860198 |
Arbitragem científica: | yes |
Acesso: | Acesso restrito autor |
Aparece nas coleções: | CDQuim - Artigos (Papers) |
Ficheiros deste registo:
Ficheiro | Descrição | Tamanho | Formato | |
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2009QSAR CobSci856.pdf Acesso restrito! | 353,59 kB | Adobe PDF | Ver/Abrir |