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http://hdl.handle.net/2445/147557
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DC Field | Value | Language |
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dc.contributor.author | Gómez Santacana, Xavier | - |
dc.contributor.author | Dalton, James A. R. | - |
dc.contributor.author | Rovira, Xavier | - |
dc.contributor.author | Pin, Jean-Philippe | - |
dc.contributor.author | Goudet, Cyril | - |
dc.contributor.author | Gorostiza Langa, Pablo Ignacio | - |
dc.contributor.author | Giraldo, Jesús | - |
dc.contributor.author | Llebaria Soldevila, Amadeu | - |
dc.date.accessioned | 2020-01-11T16:44:15Z | - |
dc.date.available | 2020-01-11T16:44:15Z | - |
dc.date.issued | 2017-02-15 | - |
dc.identifier.issn | 0223-5234 | - |
dc.identifier.uri | http://hdl.handle.net/2445/147557 | - |
dc.description.abstract | Modulation of metabotropic glutamate receptor 5 (mGlu5) with partial allosteric antagonists has received increased interest due to their favourable in vivo activity profiles compared to the unfavourable side-effects of full inverse agonists. Here we report on a series of bispyridine benzene derivatives with a functional molecular switch affecting antagonistic efficacy, shifting from inverse agonism to partial antagonism with only a single change in the substitution pattern of the benzene ring. These efficacy changes are explained through computational docking, revealing two different receptor conformations of different energetic stability and different positional isomer binding preferences. | ca |
dc.format.extent | 10 p. | - |
dc.format.mimetype | application/pdf | - |
dc.language.iso | eng | ca |
dc.relation.isformatof | Versió postprint del document publicat a: http://dx.doi.org/10.1016/j.ejmech.2017.01.013 | - |
dc.relation.ispartof | European Journal of Medicinal Chemistry, 2017, vol. 127, p. 567-576 | - |
dc.relation.uri | http://dx.doi.org/10.1016/j.ejmech.2017.01.013 | - |
dc.rights | cc by-nc-nd (c) Elsevier Masson SAS, 2017 | - |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/3.0/es/ | * |
dc.source | Articles publicats en revistes (Institut de Bioenginyeria de Catalunya (IBEC)) | - |
dc.subject.classification | Receptors de neurotransmissors | - |
dc.subject.classification | Molècules | - |
dc.subject.other | Neurotransmitter receptors | - |
dc.subject.other | Molecules | - |
dc.title | Positional isomers of bispyridine benzene derivatives induce efficacy changes on mGlu5 negative allosteric modulation | ca |
dc.type | info:eu-repo/semantics/article | ca |
dc.type | info:eu-repo/semantics/acceptedVersion | - |
dc.relation.projectID | info:eu-repo/grantAgreement/EC/H2020/720270/EU//HBP_SGA1 | ca |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | ca |
dc.identifier.pmid | 28109949 | - |
Appears in Collections: | Articles publicats en revistes (Institut de Bioenginyeria de Catalunya (IBEC)) Publicacions de projectes de recerca finançats per la UE |
Files in This Item:
File | Description | Size | Format | |
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L01_2017_European Journal of Medicinal Chemistry_127_567_OA.pdf | 1.22 MB | Adobe PDF | View/Open |
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