Towards structure-based protein drug design

摘要: Structure-based drug design for chemical molecules has been widely used in discovery the last 30 years. Many successful applications have reported, especially field of virtual screening based on molecular docking. Recently, there much progress fragment-based as well de novo discovery. As many protein-protein interactions can be key targets design, one solutions is to protein drugs directly complexes or target structure. Compared with protein-ligand interactions, are more complicated and present challenges design. Over decade, both sampling efficiency scoring accuracy docking increased significantly. We developed several strategies structure-based A grafting strategy interaction residues successfully applied designing erythropoietin receptor-binding proteins. Similarly small-molecule we also tested protein-binder a screen binders using calculations. In comparison development believe that come age.