Dual inhibition of the α-glucosidase and butyrylcholinesterase studied by Molecular Field Topology Analysis

A striking dual inhibition of enzymes alpha-glucosidase and butyrylcholinesterase by small drug-like molecules, including 1,4-disubstituted-1,2,3-triazoles, chalcones, and benzothiazepines, was rationalized with the help of Molecular Field Topology Analysis, a 3D QSAR technique similar to CoMFA. A common pharmacophore supported the concept of a link existing between type-2 diabetes mellitus and Alzheimer's disease. These findings will be instrumental for rational design of drug candidates for both of these conditions. (C) 2014 Elsevier Masson SAS. All rights reserved.