Synthesis, binding affinity, and molecular docking analysis of new benzofuranone derivative as pontential antipsychotics
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- dc.contributor.author López Muñoz, Lauraca
- dc.contributor.author Aranda, Reyesca
- dc.contributor.author Villalba, Karenca
- dc.contributor.author Raviña, Enriqueca
- dc.contributor.author Masaguer, Christian F.ca
- dc.contributor.author Brea, Joséca
- dc.contributor.author Areias, Filipeca
- dc.contributor.author Domínguez, Eduardoca
- dc.contributor.author Selent, Janaca
- dc.contributor.author Sanz, Ferranca
- dc.contributor.author Loza, María I.ca
- dc.contributor.author Pastor Maeso, Manuelca
- dc.date.accessioned 2011-07-12T07:04:17Z
- dc.date.available 2011-07-12T07:04:17Z
- dc.date.issued 2008ca
- dc.description.abstract The complex etiology of schizophrenia has prompted researchers to develop clozapine-related multitarget/nstrategies to combat its symptoms. Here we describe a series of new 6-aminomethylbenzofuranones in an/neffort to find new chemical structures with balanced affinities for 5-HT2 and dopamine receptors. Through/nbiological and computational studies of 5-HT2A and D2 receptors, we identified the receptor serine residues/nS3.36 and S5.46 as the molecular keys to explaining the differences in affinity and selectivity between/nthese new compounds for this group of receptors. Specifically, the ability of these compounds to establish/none or two H-bonds with these key residues appears to explain their difference in affinity. In addition, we/ndescribe compound 2 (QF1004B) as a tool to elucidate the role of 5-HT2C receptors in mediating antipsychotic/neffects and metabolic adverse events. The compound 16a (QF1018B) showed moderate to high affinities/nfor D2 and 5-HT2A receptors, and a 5-HT2A/D2 ratio was predictive of an atypical antipsychotic profile.
- dc.format.mimetype application/pdfca
- dc.identifier.citation Aranda R, Villalba K, Raviña E, Masaguer CF, Brea J, Areias F et al. Synthesis, Binding Affinity, and Molecular Docking Analysis of New Benzofuranone Derivatives as Potential Antipsychotics. J Med Chem. 2008;51(19):6085-94. DOI: 10.1021/jm800602w
- dc.identifier.doi http://dx.doi.org/10.1021/jm800602w
- dc.identifier.issn 0022-2623
- dc.identifier.uri http://hdl.handle.net/10230/12402
- dc.language.iso engca
- dc.publisher American Chemical Society (ACS)ca
- dc.relation.ispartof Journal of Medicinal Chemistry. 2008;51(9):6085-94
- dc.rights © American Chemical Society (ACS)ca
- dc.rights.accessRights info:eu-repo/semantics/openAccess
- dc.subject.other Psicofàrmacs
- dc.title Synthesis, binding affinity, and molecular docking analysis of new benzofuranone derivative as pontential antipsychoticsca
- dc.type info:eu-repo/semantics/articleca
- dc.type.version info:eu-repo/semantics/publishedVersion