DNA-binding mechanism of spiropyran photoswitches: the role of electrostatics.
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ABSTRACT:
SUBMITTER: Avagliano D
PROVIDER: S-EPMC6484825 | biostudies-literature | 2019 Apr
REPOSITORIES: biostudies-literature
Publications
DNA-binding mechanism of spiropyran photoswitches: the role of electrostatics.
Avagliano Davide D Sánchez-Murcia Pedro A PA González Leticia L
Physical chemistry chemical physics : PCCP 20190401 17
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. ...[more]
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