Discovery of ligands for ADP-ribosyltransferases via docking-based virtual screening.

  title={Discovery of ligands for ADP-ribosyltransferases via docking-based virtual screening.},
  author={C. David Andersson and Tobias Karlberg and Torun Ekblad and Anders E. G. Lindgren and A G Thorsell and Sara Spjut and Urszula Uciechowska and Moritz S. Niemiec and Pernilla Wittung-Stafshede and J. Weigelt and Mikael Elofsson and Herwig Sch{\"u}ler and Anna Linusson},
  journal={Journal of medicinal chemistry},
  volume={55 17},
The diphtheria toxin-like ADP-ribosyltransferases (ARTDs) are an enzyme family that catalyzes the transfer of ADP-ribose units onto substrate proteins by using nicotinamide adenine dinucleotide (NAD(+)) as a cosubstrate. They have a documented role in chromatin remodelling and DNA repair, and inhibitors of ARTD1 and 2 (PARP1 and 2) are currently in clinical trials for the treatment of cancer. The detailed function of most other ARTDs is still unknown. By using virtual screening, we identified… CONTINUE READING
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