Interaction of metal complexes with nucleic acids

Łęczkowska, Anna; Vilar, Ramón

doi:10.1039/c2ic90016e

Cited by 10 publications

(1 citation statement)

References 74 publications

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“…In addition to covalent linkage, like in the case of cis-platin, the interaction between relatively small molecules and DNA can usually be classified among three main modes. − The first one is called groove-binding, and it is usually shown by small positively charged molecules; in this case the interactor lies close to the minor or major groove, and the interaction is mainly driven by electrostatic stabilization with the negatively charged DNA backbone. In the second interaction mode, called intercalation, the interacting molecule is able to insert between two base pairs, where it is stabilized by π-stacking interactions.…”

Section: Introductionmentioning

confidence: 99%

A QM/MM Study of the Absorption Spectrum of Harmane in Water Solution and Interacting with DNA: The Crucial Role of Dynamic Effects

et al. 2013

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We present a time-dependent density functional theory computation of the absorption spectra of one β-carboline system: the harmane molecule in its neutral and cationic forms. The spectra are computed in aqueous solution. The interaction of cationic harmane with DNA is also studied. In particular, the use of hybrid quantum mechanics/molecular mechanics methods is discussed, together with its coupling to a molecular dynamics strategy to take into account dynamic effects of the environment and the vibrational degrees of freedom of the chromophore. Different levels of treatment of the environment are addressed starting from purely mechanical embedding to electrostatic and polarizable embedding. We show that a static description of the spectrum based on equilibrium geometry only is unable to give a correct agreement with experimental results, and dynamic effects need to be taken into account. The presence of two stable noncovalent interaction modes between harmane and DNA is also presented, as well as the associated absorption spectrum of harmane cation.

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Section: Introductionmentioning

confidence: 99%

A QM/MM Study of the Absorption Spectrum of Harmane in Water Solution and Interacting with DNA: The Crucial Role of Dynamic Effects

et al. 2013

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Synthesis and characterisation of phenanthroline-oxazine ligands and their Ag(I), Mn(II) and Cu(II) complexes and their evaluation as antibacterial agents

et al. 2022

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A series of phenanthroline-oxazine ligands were formed by a cyclisation reaction between L-tyrosine amino acid esters and 1,10-phenanthroline-5,6-dione (phendione). The methyl derivative of the phenanthroline-oxazine ligand 1 was complexed with Ag(I), Mn(II) and Cu(II) to form [Ag(1) 2 ]ClO 4 , [Mn(1) 3 ](ClO 4 ) 2 and [Cu(1) 3 ](ClO 4 ) 2 . The activity of these metal complexes was tested against the bacteria Escherichia coli and Staphylococcus aureus. Each of the metal complexes was more active than 1 against S. aureus and the Mn(II) and Cu(II) complexes also showed greater activity than 1 towards E. coli. The effect of increasing the length of the alkyl moiety on the phenanthroline-oxazine ligands and their corresponding tris homoleptic Cu(II) complexes was investigated. In all cases both the ligands and their complexes were more active against Gram-positive S. aureus than against Gram-negative E. coli. Differences in the lipophilicity of the ligands and their corresponding Cu(II) complexes did alter the antibacterial activity, with the hexyl and octyl derivatives and their complexes showing the greatest activity and comparing well with clinically used antibiotics. The most active Cu(II) complexes and their respective ligands were also active against Methicillin-resistant S. aureus (MRSA). In vivo toxicity studies, conducted using the Galleria mellonella model, showed that all of the compounds were well tolerated by the insect larvae.

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Synthesis, Characterization and Crystal Structure of a New 3D Cadmium(II) Coordination Polymer: Binding Interaction with DNA and Double Stranded RNA

Jana

Mandal

Seth³

et al. 2016

J Inorg Organomet Polym

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Interaction of metal complexes with nucleic acids

Cited by 10 publications

References 74 publications

A QM/MM Study of the Absorption Spectrum of Harmane in Water Solution and Interacting with DNA: The Crucial Role of Dynamic Effects

A QM/MM Study of the Absorption Spectrum of Harmane in Water Solution and Interacting with DNA: The Crucial Role of Dynamic Effects

Synthesis and characterisation of phenanthroline-oxazine ligands and their Ag(I), Mn(II) and Cu(II) complexes and their evaluation as antibacterial agents

Synthesis, Characterization and Crystal Structure of a New 3D Cadmium(II) Coordination Polymer: Binding Interaction with DNA and Double Stranded RNA

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