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Binding Modes and Selectivity of Ruthenium Complexes to Human Telomeric DNA G-Quadruplexes
Univ Mons UMONS, Ctr Innovat Mat & Polymers, Lab Chem Novel Mat, 20 Pl Parc, B-7000 Mons, Belgium.;Univ Jaume 1, Dept Quim Inorgan & Organ, Bioinspired Supramol Chem & Mat Grp, Avda Sos Baynat S-N, E-12071 Castellon de La Plana, Spain..
Univ Libre Bruxelles, Chim Organ & Photochim CP160 08, 50 Ave FD Roosevelt, B-1050 Brussels, Belgium..
Univ Limoges, Sch Pharm, INSERM, U1248,IPPRITT, 2 Rue Dr Marcland, F-87025 Limoges, France..
Univ Mons UMONS, Ctr Innovat Mat & Polymers, Lab Chem Novel Mat, 20 Pl Parc, B-7000 Mons, Belgium..
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2018 (Engelska)Ingår i: Chemistry - A European Journal, ISSN 0947-6539, E-ISSN 1521-3765, Vol. 24, nr 58, s. 15577-15588Artikel i tidskrift (Refereegranskat) Published
Abstract [en]

Metal complexes constitute an important class of DNA binders. In particular, a few ruthenium polyazaaromatic complexes are attractive as light switches because of their strong luminescence enhancement upon DNA binding. In this paper, a comprehensive study on the binding modes of several mononuclear and binuclear ruthenium complexes to human telomeric sequences, made of repeats of the d(TTAGGG) fragment is reported. These DNA sequences form G-quadruplexes (G4s) at the ends of chromosomes and constitute a relevant biomolecular target in cancer research. By combining spectroscopy experiments and molecular modelling simulations, several key properties are deciphered: the binding modes, the stabilization of G4 upon binding, and the selectivity of these complexes towards G4 versus double-stranded DNA. These results are rationalized by assessing the possible deformation of G4 and the binding free energies of several binding modes via modelling approaches. Altogether, this comparative study provides fundamental insights into the molecular recognition properties and selectivity of Ru complexes towards this important class of DNA G4s.

Ort, förlag, år, upplaga, sidor
WILEY-V C H VERLAG GMBH , 2018. Vol. 24, nr 58, s. 15577-15588
Nyckelord [en]
DNA recognition, G-quadruplexes, light switches, ruthenium complexes
Nationell ämneskategori
Kemi
Identifikatorer
URN: urn:nbn:se:kth:diva-238537DOI: 10.1002/chem.201802147ISI: 000447636000022PubMedID: 30346057OAI: oai:DiVA.org:kth-238537DiVA, id: diva2:1260983
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QC 20181106

Tillgänglig från: 2018-11-06 Skapad: 2018-11-06 Senast uppdaterad: 2018-11-06Bibliografiskt granskad

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Norman, PatrickLinares, Mathieu
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Teoretisk kemi och biologiSeRC - Swedish e-Science Research Centre
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Chemistry - A European Journal
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