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

Physical Chemistry Chemical Physics : PCCP
Davide AvaglianoLeticia González

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.

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Citations

Aug 7, 2019·Physical Chemistry Chemical Physics : PCCP·Davide AvaglianoLeticia González
Oct 1, 2021·Chemical Society Reviews·Jana VolarićBen L Feringa

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Methods Mentioned

BETA
linear dichroism

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