Synthesis of a dysidiolide-inspired compound library and discovery of acetylcholinesterase inhibitors based on protein structure similarity clustering (PSSC)

Guided by protein structure similarity clustering (PSSC), a 483-member compound library was synthesized based on the decalin core moiety of the naturally occurring Cdc25A (red) inhibitor dysidiolide 1 as 'leitmotif' yielding novel acetylcholinesterase (AChE, blue) inhibitors.