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Good Vibrations Report on the DNA Quadruplex Binding of an Excited State Amplified Ruthenium Polypyridyl IR Probe

Title	Good Vibrations Report on the DNA Quadruplex Binding of an Excited State Amplified Ruthenium Polypyridyl IR Probe
Authors	Mark Stitch, Davide Avagliano, Daniel Graczyk, Ian P. Clark, Leticia González, Michael Towrie, Susan J Quinn
Magazine	Journal of the American Chemical Society
Date	09/22/2023
DOI	https://doi.org/10.1021/jacs.3c06099
Introduction	The study demonstrates how the Ru(II) polypyridyl complex with nitrile acts as a sensitive infrared probe for G-quadruplex structures. UV-visible absorption spectroscopy shows enantiomer-specific binding for the hybrid htel(K) and antiparallel htel(Na) G4s formed by the human telomer sequence. Time-resolved infrared (TRIR) spectroscopy of the complex upon 400 nm excitation reveals dominant interactions with guanine bases for Λ-1/htel(K), Δ-1/htel(K), and Λ-1/htel(Na) bindings. Conversely, Δ-1/htel(Na) binding interacts with thymine and adenine bases in the loop. The nitrile transient at 2232 cm-1 shifts linearly to lower frequency as the hydrogen bonding environment decreases in DMSO/water mixtures, serving as a reporter of the nitrile environment within the binding pocket. The lifetime of the complex in D2O increases upon DNA binding, indicating greater protection from the solvent environment, corroborated by molecular dynamics simulations and binding energy calculations. This underscores the utility of IR probes in determining the binding sites of photoactive agents and their potential in reporting biological environments.
Quote	Mark Stitch, Davide Avagliano and Daniel Graczyk et al. Good Vibrations Report on the DNA Quadruplex Binding of an Excited State Amplified Ruthenium Polypyridyl IR Probe. J. Am. Chem. Soc. 2023. Vol. 145(39):21344-21360. DOI: 10.1021/jacs.3c06099
Element	Ruthenium (Ru) , Sodium (Na) , Potassium (K)
Materials	Chemical Compounds
Topics	Photonic and Optoelectronic Materials , Biomedical Materials

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