Identification of novel scaffolds from an original chemical library as potential Antipsychotics

Ver registo simples
dc.contributor.authorGutierrez-de-Teran, Hugopor
dc.contributor.authorCorreia, Carlapor
dc.contributor.authorRodriguez, Davidpor
dc.contributor.authorCarvalho, M. Alicepor
dc.contributor.authorBrea, Josepor
dc.contributor.authorIsabel Cadavid, Mariapor
dc.contributor.authorIsabel Loza, Mariapor
dc.contributor.authorProença, M. Fernanda R. P.por
dc.contributor.authorAreias, Filipepor
dc.date.accessioned2021-05-25T15:29:09Z
dc.date.embargo10000-01-01
dc.date.issued2009-08-01
dc.date.submitted2008-12
dc.date.updated2021-05-21T08:41:46Z
dc.description.abstractThe 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.por
dc.description.sponsorshipXunta de Galicia (Project PGIDIT07CSA003203PR). Mobility program from Spanish and Portuguese “Integrated Actions” has allowed the mobility of researchers between labs. H. G. T. is an Isidro Parga Pondal research Fellow and J. B. acknowledges Isabel Barreto Fellowship (both programs from Xunta de Galicia, Spain). D. R. is recipient of a predoctoral grant from the Fondo de Investigacio´ n Sanitaria (ISCIII, Spanish Ministry of Science and Innovation). C. C. and F. A. gratefully acknowledge FundaÅa˜o para a Cieˆncia e Tecnologia (Portugal) for Ph.D. (SFRH/BD/22270/2005) and Post-Ph.D. (SFRH/BPD/26106/2005) grants, respectivelypor
dc.distributioninternationalpor
dc.identifier.citationGutiérrez‐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), 856-860por
dc.identifier.doi10.1002/qsar.200860198por
dc.identifier.eissn1611-0218por
dc.identifier.issn1611-020Xpor
dc.identifier.urihttps://hdl.handle.net/1822/72846
dc.language.isoengpor
dc.peerreviewedyespor
dc.publisherWiley-VCH Verlagpor
dc.relation.publisherversionhttps://onlinelibrary.wiley.com/doi/abs/10.1002/qsar.200860198por
dc.rightsclosedAccesspor
dc.subjectAntipsychoticpor
dc.subjectVirtual screeningpor
dc.subjectPurinepor
dc.subjectSerotonin receptorspor
dc.subject5-HT(2A)por
dc.subjectDrug designpor
dc.subject.fosCiências Naturais::Ciências Químicaspor
dc.subject.wosScience & Technology
dc.titleIdentification of novel scaffolds from an original chemical library as potential Antipsychoticspor
dc.typearticle
dspace.entity.typePublicationen
oaire.citationEndPage860por
oaire.citationIssue8por
oaire.citationStartPage856por
oaire.citationVolume28por
sdum.export.identifier10755
sdum.journalQsar & Combinatorial Sciencepor

Ficheiros

Pacote original

A mostrar 1 - 1 de 1
Nome:
2009QSAR CobSci856.pdf
Tamanho:
353.59 KB
Formato:
Adobe Portable Document Format
Descarregar

Coleções

CDQuim - Artigos | Articles