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Combined spectroscopic and theoretical analysis of the binding of a water-soluble perylene diimide to DNA/RNA polynucleotides and G-quadruplexes.

2021

We present here a combined spectroscopic and theoretical analysis of the binding of N,N’-bis(2-(1-piperazino)ethyl)-3,4,9,10-perylenetetracarboxylic acid diimide dichloride (PZPERY) to different biosubstrates. Absorbance titrations and circular dichroism experiments, melting studies and isothermal calorimetry (ITC) titrations reveal a picture where the binding to natural double-stranded DNA is very different from that to double and triple-stranded RNAs (poly(A)∙poly(U) and poly(U)∙poly(A)⁎poly(U)). As confirmed also by the structural and energetic details clarified by density functional theory (DFT) calculations, intercalation occurs for DNA, with a process driven by the combination of aggr…

Circular dichroismIntercalation (chemistry)PolynucleotidesSupramolecular chemistryMolecular dynamicsG-quadruplexChemistry Physical and theoreticalAnalytical ChemistryAggregationchemistry.chemical_compoundDiimideQuímica físicaIntercalationHumansInstrumentationPeryleneSpectroscopyAggregation; Density functional theory; Intercalation; Molecular dynamics; Sitting atop; Circular Dichroism; DNA; Humans; Polynucleotides; RNA; Water; G-Quadruplexes; PeryleneCircular DichroismWaterIsothermal titration calorimetryDNAAtomic and Molecular Physics and OpticsSitting atopG-QuadruplexesCrystallographychemistrySettore CHIM/03 - Chimica Generale E InorganicaPolynucleotideDensity functional theoryRNAPeryleneSpectrochimica acta. Part A, Molecular and biomolecular spectroscopy
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