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A single AT–GC exchange can modulate charge transfer-induced p53–DNA dissociation

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Abstract

Using molecular dynamics simulations and electronic structure theory, we shed light on the charge dynamics that causes the differential interaction of tumor suppressor protein p53 with the p21 and Gadd45 genes in response to oxidative stress. We show that the sequence dependence of this selectivity results from competing charge transfer to the protein and through the DNA, with implications on the use of genome editing tools to influence the p53 regulatory function.

Graphical abstract: A single AT–GC exchange can modulate charge transfer-induced p53–DNA dissociation

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Publication details

The article was received on 14 Nov 2018, accepted on 30 Nov 2018 and first published on 30 Nov 2018


Article type: Communication
DOI: 10.1039/C8CC09048C
Citation: Chem. Commun., 2019, Advance Article
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    A single AT–GC exchange can modulate charge transfer-induced p53–DNA dissociation

    R. D. Teo, E. R. Smithwick, A. Migliore and D. N. Beratan, Chem. Commun., 2019, Advance Article , DOI: 10.1039/C8CC09048C

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