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dc.contributor.authorKnight, Nicola J. .
dc.contributor.authorHernando Santa Cruz, Elsa 
dc.contributor.authorHaynes, Cally J. E. .
dc.contributor.authorBusschaert, Nathalie
dc.contributor.authorClarke, Harriet J. .
dc.contributor.authorTakimoto, Koji
dc.contributor.authorGarcía Valverde, María 
dc.contributor.authorFrey, Jeremy G. .
dc.contributor.authorQuesada Pato, Roberto 
dc.contributor.authorGale, Philip A. .
dc.date.accessioned2018-03-07T10:33:46Z
dc.date.available2018-03-07T10:33:46Z
dc.date.issued2016-02
dc.identifier.issn2041-6520
dc.identifier.urihttp://hdl.handle.net/10259/4743
dc.description.abstractThe transmembrane anion transport activity of 43 synthetic molecules based on the structure of marine alkaloid tambjamine were assessed in model phospholipid (POPC) liposomes. The anionophoric activity of these molecules showed a parabolic dependence with lipophilicity, with an optimum range for transport efficiency. Using a quantitative structure–transport activity (QSAR) approach it was possible to rationalize these results and to quantify the contribution of lipophilicity to the transport activity of these derivatives. While the optimal value of log P and the curvature of the parabolic dependence is a property of the membrane (and so similar for the different series of substituents) we found that for relatively simple substituents in certain locations on the tambjamine core, hydrophobic interactions clearly dominate, but for others, more specific interactions are present that change the position of the membrane hydrophobicity parabolic envelope.en
dc.description.sponsorshipRQ acknowledges funding from Consejer´ıa de Educaci´on de la Junta de Castilla y Le´on (Project BU340U13) and Fundaci´o la Marat´o de TV3 (20132730). PAG thanks the EPSRC for funding (EP/J009687/1 and EP/K039466/1). COST CM1005 Supramolecular Chemistry in Water for a STSM (EH). JGF thanks the EPSRC (GR/R67729 & EP/ K003569) for fundingen
dc.format.mimetypeapplication/pdf
dc.language.isoenges
dc.publisherRoyal Society of Chemistryen
dc.relation.ispartofChemical Science. 2016, V. 7, n. 2, p. 1600-1608en
dc.rightsAttribution 3.0 Unported
dc.rights.urihttp://creativecommons.org/licenses/by/3.0/
dc.subject.otherChemistry, Organicen
dc.subject.otherQuímica orgánicaes
dc.titleQSAR analysis of substituent effects on tambjamine anion transportersen
dc.typeinfo:eu-repo/semantics/article
dc.rights.accessRightsinfo:eu-repo/semantics/openAccess
dc.relation.publisherversionhttps://doi.org/10.1039/c5sc03932k
dc.identifier.doi10.1039/c5sc03932k
dc.relation.projectIDinfo:eu-repo/grantAgreement/JCyL/BU340U13
dc.relation.projectIDinfo:eu-repo/grantAgreement/Fundació la Marató de TV3/20132730
dc.relation.projectIDinfo:eu-repo/grantAgreement/EPSRC/EP-J009687-1
dc.relation.projectIDinfo:eu-repo/grantAgreement/EPSRC/EP-K039466-1
dc.relation.projectIDinfo:eu-repo/grantAgreement/EPSRC/GR-R67729
dc.relation.projectIDinfo:eu-repo/grantAgreement/EPSRC/EP- K003569
dc.type.hasVersioninfo:eu-repo/semantics/publishedVersionen


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