Cheminformatics-driven discovery of natural isoquinoline alkaloid inhibitors of Beta-secretase I for Alzheimer’s management
Fig 5
Ligand-protein interactions of two lead compounds (9-10) with BACE1.
Panels A-B shows 3D and 2D interactions of the corresponding ligands with the active site of BACE1. Neferine (compound 9) and 2-O-coumaryl-S-aloesinol (compound 10).