Virtual fragment screening for DNA repair inhibitors in vast chemical space

Luttens, A. orcid.org/0000-0003-2915-7901, Vo, D.D., Scaletti, E.R. et al. (22 more authors) (2025) Virtual fragment screening for DNA repair inhibitors in vast chemical space. Nature Communications, 16. 1741. ISSN 2041-1723

Abstract

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Item Type: Article
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© 2025 The Authors. This is an Open Access article distributed under the terms of the Creative Commons Attribution Licence (https://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Keywords: DNA Repair; Humans; Molecular Docking Simulation; DNA Glycosylases; Crystallography, X-Ray; Drug Discovery; Small Molecule Libraries; Enzyme Inhibitors; Antineoplastic Agents; Drug Evaluation, Preclinical; Anti-Inflammatory Agents
Dates:
  • Published: 18 February 2025
  • Published (online): 18 February 2025
  • Accepted: 28 January 2025
Institution: The University of Sheffield
Academic Units: The University of Sheffield > Faculty of Science (Sheffield) > School of Biosciences (Sheffield)
Depositing User: Symplectic Sheffield
Date Deposited: 24 Feb 2025 12:14
Last Modified: 24 Feb 2025 12:14
Published Version: https://doi.org/10.1038/s41467-025-56893-9
Status: Published
Publisher: Springer Science and Business Media LLC
Refereed: Yes
Identification Number: 10.1038/s41467-025-56893-9
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