Chemical Science · 2021 · 16 citations · 52 references
PharmacyMedicinal ChemistryPharmacologyDrug DiscoveryStructural BiologyStructure-activity RelationshipsLigand BindingMolecular DockingProtein-ligand BindingProtein-ligand DockingProtein-ligand InteractionsProtein-ligand RecognitionAnisotropyHot Spot ResiduesInterface Hotspot PredictionProtein-ligand Complex ModelingProtein-protein Interaction Inhibitor DesignProtein-protein Interaction Inhibitor Discovery
N HSQC experiments. In addition, hit expansion yields a series of PPI inhibitors with defined structure-activity relationships. It is envisaged that the generality of the approach will enable discovery of inhibitors of a wide range of unrelated secondary structure-mediated PPIs.
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