Structure-based virtual screening for identification of novel 11b-HSD1 inhibitors
Structure-based pharmacophore models were built by using LigandScout and used for virtual screening of the SPECS database to identify
new potential 11b-HSD1 inhibitors. As a refinement of the results obtained from virtual 3D pharmacophore screening, the best fitting virtual hits
were subjected to docking study. The resulting compounds were tested in an enzyme assay and revealed several compounds with novel scaffolds
that show sub-micromolar activity and high selectivity for 11b-HSD1 against 11b-HSD2.