Structure-based discovery of novel small molecule inhibitors of platelet-derived growth factor-B

•Virtual screening was used for identifying two novel ligands antagonizing PDGF-B.•Inhibitory activity of the ligands was evaluated using in vitro bioassay.•Binding free energies were calculated for the ligand-protein complexes.•The results of in silico calculations were in agreement with in vitro bioassay.•The results can be used for design of novel anti-PDGF-B drugs.