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dc.contributor.authorFrancisco, Carla Santanapor
dc.contributor.authorRodrigues, L. R.por
dc.contributor.authorCerqueira, N. M. F. S. A.por
dc.contributor.authorCampos, Ana M. F. Oliveirapor
dc.contributor.authorEsteves, Ana Paulapor
dc.identifier.citationFrancisco, Carla S.; Rodrigues, L. R.; Cerqueira, Nuno M. F. S. A.; Oliveira-Campos, Ana M. F.; Esteves, Ana P., Novel benzopsoralen analogues: Synthesis, biological activity and molecular docking studies. European Journal of Medicinal Chemistry, 87, 298-305, 2014por
dc.description.abstractNew benzopsoralen analogues were synthesized and their inhibitory effect on the growth of tumourtumour cell lines (MDA MB231 and TCC-SUP) was evaluated. The in vitro antitumour activity of the new benzopsoralen analogues was discussed in terms of structure–activity relationship. Molecular docking studies with human-CYP2A6 enzymes were also carried out with the synthesized compounds to evaluate the potential of these molecules to interact with the haem group of the enzymes. The results demonstrated that the compounds that are able to interact with the iron ion of the haem cofactor and at the same time with active site Asn297 are those that have better anti-proliferative activity.por
dc.description.sponsorshipTo the Foundation for the Science and Technology (FCT, Portugal) for financial support to the NMR Portuguese network (PTNMR, Bruker Avance III 400-Univ. Minho). FCT and FEDER (European Fund for Regional Development)-COMPETE-QREN-EU for financial support to the Chemistry Research Centre, CQ/UM [PEst-C/QUI/UI0686/2011 (FCOMP-01-0124-FEDER-022716)], to REQUIMTE (PEst-C/EQB/LA0006/2011), to the Centre of Biological Engineering (PEst-OE/EQB/LA0023/2013) and the PhD grant to C.S.F. (SFRH/BD/48636/2008). The authors also acknowledge the Institute of Molecular Pathology and Immunology of the University of Porto (IPATIMUP, Porto, Portugal) for kindly providing the breast cancer cell lines used in this work.por
dc.publisherElsevier B.V.por
dc.subjectBenzopsoralen analoguespor
dc.subjectAntitumour activitypor
dc.subjectComputational studiespor
dc.subjectMolecular dockingpor
dc.titleNovel benzopsoralen analogues : synthesis, biological activity and molecular docking studiespor
oaire.citationTitleEuropean Journal of Medicinal Chemistrypor
dc.subject.wosScience & Technologypor
sdum.journalEuropean Journal of Medicinal Chemistrypor
Appears in Collections:CEB - Publicações em Revistas/Séries Internacionais / Publications in International Journals/Series

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