Discovery of nonpeptide, peptidomimetic peptidase inhibitors that target alternate enzyme active site conformations.
Structure-generating programs provide rational methods to rapidly design novel scaffolds targeting the biologic receptor of choice. Recent research has demonstrated proteins equilibrate between families of conformations (ensembles) for which drug design may target. New methods are currently being developed utilizing structure-generating programs to target alternate enzyme conformations in an attempt to overcome the challenge of developing therapeutically useful molecules. These new methods provide the potential to overcome bioavailability problems encountered with peptide and peptide-like molecules by identifying novel small molecule scaffolds.
D001665:Binding Sites; D017320:HIV Protease Inhibitors / Q000737:chemistry / Q000378:metabolism; D010447:Peptide Hydrolases / Q000737:chemistry / Q000378:metabolism*; D011480:Protease Inhibitors / Q000737:chemistry* / Q000494:pharmacology*; D011487:Protein Conformation
D017320:HIV Protease Inhibitors; D011480:Protease Inhibitors; D010447:Peptide Hydrolases