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dc.contributor.authorAcosta Reyes, Francisco Javier
dc.contributor.authorDardonville, Cristophe Y.
dc.contributor.authorDe Koning, Harry Pieter
dc.contributor.authorNatto, Manal J.
dc.contributor.authorSubirana, Juan Antonio
dc.contributor.authorCampos López, Josefina de Lourdes
dc.contributor.otherUniversitat Politècnica de Catalunya. Departament d'Enginyeria Química
dc.date.accessioned2014-07-15T07:11:41Z
dc.date.available2014-07-15T07:11:41Z
dc.date.created2014-06
dc.date.issued2014-06
dc.identifier.citationAcosta, F.J. [et al.]. In and out of the minor groove: Interaction of an AT-rich DNA with the drug CD27. "Acta Crystallographica Section D: Biological Crystallography", Juny 2014, vol. 70, núm. 6, p. 1614-1621.
dc.identifier.issn1399-0047
dc.identifier.urihttp://hdl.handle.net/2117/23505
dc.description.abstractThe DNA of several pathogens is very rich in AT base pairs. Typical examples include the malaria parasite Plasmodium falciparum and the causative agents of trichomoniasis and trypanosomiases. This fact has prompted studies of drugs which interact with the minor groove of DNA, some of which are used in medical practice. Previous studies have been performed almost exclusively with the AATT sequence. New features should be uncovered through the study of different DNA sequences. In this paper, the crystal structure of the complex of the DNA duplex d(AAAATTTT)2 with the dicationic drug 4,4'-bis(imidazolinylamino) diphenylamine (CD27) is presented. The drug binds to the minor groove of DNA as expected, but it shows two new features that have not previously been described: (i) the drugs protrude from the DNA and interact with neighbouring molecules, so that they may act as cross-linking agents, and (ii) the drugs completely cover the whole minor groove of DNA and displace bound water. Thus, they may prevent the access to DNA of proteins such as AT-hook proteins. These features are also expected for other minor-groove binding drugs when associated with all-AT DNA. These findings allow a better understanding of this family of compounds and will help in the development of new, more effective drugs. New data on the biological interaction of CD27 with the causative agent of trichomoniasis, Trichomonas vaginalis, are also reported.
dc.format.extent8 p.
dc.language.isoeng
dc.rightsAttribution-NonCommercial-NoDerivs 3.0 Spain
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/es/
dc.subjectÀrees temàtiques de la UPC::Enginyeria química
dc.subject.lcshDNA--Structure
dc.subject.otherAT-rich DNA
dc.subject.otherCD27
dc.subject.otherd(AAAATTTT
dc.subject.otherminor-groove binding drug
dc.titleIn and out of the minor groove: Interaction of an AT-rich DNA with the drug CD27
dc.typeArticle
dc.subject.lemacADN -- Estructura
dc.subject.lemacMedicaments -- Interacció
dc.contributor.groupUniversitat Politècnica de Catalunya. MACROM - Cristal·lografia, Estructura i Funció de Macromolècules Biològiques
dc.identifier.doi10.1107/S139900471400697X
dc.relation.publisherversionhttp://scripts.iucr.org/cgi-bin/paper?S139900471400697X
dc.rights.accessOpen Access
local.identifier.drac14992127
dc.description.versionPostprint (published version)
local.citation.authorAcosta, F.J.; Dardonville, C.; De Koning, H.; Natto, M.; Subirana, J.; Campos, J.Lourdes
local.citation.publicationNameActa Crystallographica Section D: Biological Crystallography
local.citation.volume70
local.citation.number6
local.citation.startingPage1614
local.citation.endingPage1621


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