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Molecular docking studies of the interaction between propargylic enol ethers and human DNA topoisomerase IIα

2013Journal article Open access
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dc.contributor.authorSilveira-Dorta, Gastón
dc.contributor.authorSousa, Inês J.
dc.contributor.authorRíos-Luci, Carla
dc.contributor.authorMartín, Víctor S.
dc.contributor.authorFernandes, Miguel X.
dc.contributor.authorPadrón, José M.
dc.date.accessioned2023-02-10T11:46:24Z
dc.date.available2023-02-10T11:46:24Z
dc.date.issued2013
dc.description.abstractHaving identified a novel human DNA topoisomerase IIa (TOP2) catalytic inhibitor from a small and structure-focused library of propargylic enol ethers, we decided to analyze if the chirality of these compounds plays a determinant role in their antiproliferative activity. In this study, we describe for the first time the synthesis of the corresponding enantiomers and the biological evaluation against a panel of representative human solid tumor cell lines. Experimental results show that chirality does not influence the reported antiproliferative activity of these compounds. Docking studies of corresponding enantiomers against TOP2 reinforce the finding that the biological effect is not chiral-dependent and that these family of compounds seem to act as TOP2 catalytic inhibitors.pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationSilveira-Dorta, G., Sousa, I. J., Ríos-Luci, C., Martin, V. S., Fernandes, M. X., & Padron, J. M. (2013). Molecular docking studies of the interaction between propargylic enol ethers and human DNA topoisomerase IIα. Bioorganic & medicinal chemistry letters, 23(19), 5382-5384.pt_PT
dc.identifier.doi10.1016/j.bmcl.2013.07.055pt_PT
dc.identifier.urihttp://hdl.handle.net/10400.13/5025
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherElsevierpt_PT
dc.relationStrategic Project - UI 674 - 2011-2012
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/pt_PT
dc.subjectAntitumor agentspt_PT
dc.subjectChiralitypt_PT
dc.subjectDocking studiespt_PT
dc.subjectEnzyme inhibitorspt_PT
dc.subjectTopoisomerase IIapt_PT
dc.subject.pt_PT
dc.subjectFaculdade de Ciências Exatas e da Engenhariapt_PT
dc.titleMolecular docking studies of the interaction between propargylic enol ethers and human DNA topoisomerase IIαpt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.awardTitleStrategic Project - UI 674 - 2011-2012
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/PEst-OE%2FQUI%2FUI0674%2F2011/PT
oaire.citation.endPage5384pt_PT
oaire.citation.issue19pt_PT
oaire.citation.startPage5382pt_PT
oaire.citation.titleBioorganic & Medicinal Chemistry Letterspt_PT
oaire.citation.volume23pt_PT
oaire.fundingStream6817 - DCRRNI ID
person.familyNameFernandes
person.givenNameMiguel Xavier
person.identifier.ciencia-idED1D-3C7A-467C
person.identifier.orcid0000-0002-1840-616X
person.identifier.ridA-4373-2013
person.identifier.scopus-author-id35466972500
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.nameFundação para a Ciência e a Tecnologia
rcaap.rightsopenAccesspt_PT
rcaap.typearticlept_PT
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relation.isAuthorOfPublication.latestForDiscovery8dab9a0d-f44a-4d2d-b9b1-7b3145162ca3
relation.isProjectOfPublication595c1582-33c0-493a-8ab3-37d2811536d9
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