A structure-based approach to retinoid X receptor-alpha inhibition.

  title={A structure-based approach to retinoid X receptor-alpha inhibition.},
  author={John L. Stebbins and Dawoon Jung and Marilisa Leone and Xiaokun Zhang and Maurizio Pellecchia},
  journal={The Journal of biological chemistry},
  volume={281 24},
In this paper we describe a structure-based approach designed to identify novel ligands for retinoid X receptor-alpha (RXRalpha). By using a virtual approach based on a modified scoring function, we have selected 200 potential candidates on the basis of their predicted ability of docking into the ligand-binding site of the target. Subsequent experimental verification of the compounds in in vitro and cell-based assays led to the identification of a number of novel high affinity ligands for… CONTINUE READING