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DNA-binding mechanism of spiropyran photoswitches: the role of electrostatics

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Abstract

The binding mechanism of the protonated open form of three spiropyran derivatives into a 12-mer (poly-dAT)2 has been unveiled by means of computational methods. It is found that the electrostatic term in the probe:DNA binding energy, modulates the binding mode, providing new guidelines for the design of spiropyran photoswitches with specific binding modes to DNA.

Graphical abstract: DNA-binding mechanism of spiropyran photoswitches: the role of electrostatics

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The article was received on 07 Dec 2018, accepted on 15 Feb 2019 and first published on 15 Feb 2019


Article type: Communication
DOI: 10.1039/C8CP07508E
Citation: Phys. Chem. Chem. Phys., 2019, Advance Article
  • Open access: Creative Commons BY-NC license
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    DNA-binding mechanism of spiropyran photoswitches: the role of electrostatics

    D. Avagliano, P. A. Sánchez-Murcia and L. González, Phys. Chem. Chem. Phys., 2019, Advance Article , DOI: 10.1039/C8CP07508E

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