Cooperative effects of cytosine methylation on DNA structure and dynamics

Abstract : The behavior of the structural parameters of DNA considering different level of methylation in CpG islands is studied by means of full-atom molecular dynamics simulations and electronic circular dichroism, both in an artificial model system and in a gene promoter sequence. It is demonstrated that methylation although intrinsically brings quite local perturbations may, if its level is high enough, induce cooperative effects that strongly modify the DNA backbone torsional parameters altering the helicity as compared to the non-methylated case. Since methylation of CpG island is correlated with the regu-lation of gene expression, understanding the struc-tural modifications induced in DNA is crucial to char-acterize all the fine equilibria into play in epigenetics phenomena.
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Submitted on : Thursday, August 1, 2019 - 8:47:21 AM
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Cécilia Hognon, Vanessa Besancenot, Arnaud Gruez, Stéphanie Grandemange, Antonio Monari. Cooperative effects of cytosine methylation on DNA structure and dynamics. Journal of Physical Chemistry B, American Chemical Society, In press, 123 (34), pp.7365-7371. ⟨10.1021/acs.jpcb.9b05835⟩. ⟨hal-02227499⟩



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