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Communication Dans Un Congrès Année : 2019

Molecular dynamics insights for DNA lesions in oligonucleotides and nucleosomal DNA

Emmanuelle Bignon
Elise Dumont

Résumé

The identification of complex oxidatively-generated DNA lesions involving not only a single-nucleobase but two proximal nucleotides has recieved much attention over the last years since such lesions are formed with a very low occurrence (typically a few lesions per 10^9 nucleotides) but turn out to be highly mutagenic. The structural elucidation of such complex lesions is extremely challenging. We rely on classical all-atom MD simulations to probe the structures of oligonucleotides featuring a given lesion (abasic sites or intrastrand cross-links). We can monitor the B-helix distortion and the outcome of the initial Watson-Crick pairing: whereas NMR or X-ray structures are not available, our simulation provide a rationale for sequence-dependent repair efficiencies. Another application of all-atom molecular dynamics aspect is the exploration of DNA-photosensitizers interactions. I will also present our recent efforts towards all-atom simulations of nucleosomal harbouring DNA lesions.
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Dates et versions

hal-02124544 , version 1 (09-05-2019)

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  • HAL Id : hal-02124544 , version 1

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Emmanuelle Bignon, Elise Dumont. Molecular dynamics insights for DNA lesions in oligonucleotides and nucleosomal DNA. Huitième réunion annuelle du GdR Architecture et Dynamique Nucléaires (ADN), Mar 2019, Lyon, France. ⟨hal-02124544⟩
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