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Volume 11
Journal of Proteomics & Bioinformatics
ISSN: 0974-276X
Structural Biology 2018
September 24-26, 2018
September 24-26, 2018 | Berlin, Germany
14
th
International Conference on
Structural Biology
Modelling the action of Nfo, APE1 and DDB2 repairing complex DNA lesions
Elise Dumont
ENS de Lyon, France
M
any deleterious agents and sunlight continuously target DNA and induce numerous DNA lesions. Their repair is taken
into account by specific enzymes with a manifold of pathways. Over the last decades, structural insights have been gained
but it is not always possible to obtain x-ray or NMR structures of enzymes caught in action, especially for clustered DNA
lesions which consist in several lesions within one or two B-DNA helix turns. Relying on GPU-accelerated all atom molecular
dynamics, we investigate the action of Nfo, APE, DDB2 on several complexes oxidatively or photo-induced DNA lesions.
Our simulations reveal substrate specific non-covalent interactions ruling out experimentally measured repair rates. Our
simulations can be used as a reliable computational microscope, which affords an efficient screening of DNA oligonucleotides,
allowing us to probe and predict specific sequences refractory to repair. Our simulations can also tackle the interaction of drugs
(mainly photosensitizers) and radicals towards DNA to unravel electronic mechanisms, which are described based on density
functional theory. This paves the way towards a rational design of new promising DNA drugs in the context of phototherapy.
J Proteomics Bioinform 2018, Volume 11
DOI: 10.4172/0974-276X-C2-116