Novel Ligands for a Purine Riboswitch Discovered by RNA-Ligand Docking

@inproceedings{Daldrop2011NovelLF,
  title={Novel Ligands for a Purine Riboswitch Discovered by RNA-Ligand Docking},
  author={Peter Daldrop and Francis E. Reyes and David A Robinson and Colin M. Hammond and David M. J. Lilley and Robert T Batey and Ruth Brenk},
  booktitle={Chemistry & biology},
  year={2011}
}
The increasing number of RNA crystal structures enables a structure-based approach to the discovery of new RNA-binding ligands. To develop the poorly explored area of RNA-ligand docking, we have conducted a virtual screening exercise for a purine riboswitch to probe the strengths and weaknesses of RNA-ligand docking. Using a standard protein-ligand docking program with only minor modifications, four new ligands with binding affinities in the micromolar range were identified, including two… CONTINUE READING