title: Structure-based search for new inhibitors of cholinesterases.
abstract: Cholinesterases are important biological targets responsible for regulation of cholinergic transmission, and their inhibitors are used for the treatment of Alzheimer's disease. To design new cholinesterase inhibitors, of different structure-based design strategies was followed, including the modification of compounds from a previously developed library and a fragment-based design approach. This led to the selection of heterodimeric structures as potential inhibitors. Synthesis and biological evaluation of selected candidates confirmed that the designed compounds were acetylcholinesterase inhibitors with IC50 values in the mid-nanomolar to low micromolar range, and some of them were also butyrylcholinesterase inhibitors.
authors.affiliation: Department of Physicochemical Drug Analysis, Faculty of Pharmacy, Medical College, Jagiellonian University, Kraków 30-688, Medyczna 9, Poland. mfmalaws@cyf-kr.edu.pl.
authors.forename: Marek
authors.initials: M
authors.lastname: Bajda
authors.forename: Anna
authors.initials: A
authors.lastname: Więckowska
authors.forename: Michalina
authors.initials: M
authors.lastname: Hebda
authors.forename: Natalia
authors.initials: N
authors.lastname: Guzior
authors.forename: Christoph A
authors.initials: CA
authors.lastname: Sotriffer
authors.forename: Barbara
authors.initials: B
authors.lastname: Malawska