Dual inhibition of the α-glucosidase and butyrylcholinesterase studied by molecular field topology analysis.

Basic Information

ID: ALA3259684

Journal: Eur J Med Chem

Title: Dual inhibition of the α-glucosidase and butyrylcholinesterase studied by molecular field topology analysis.

Authors: Jabeen F, Oliferenko PV, Oliferenko AA, Pillai GG, Ansari FL, Hall CD, Katritzky AR.

Abstract: A striking dual inhibition of enzymes α-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.

CiteXplore: 24780600

DOI: 10.1016/j.ejmech.2014.04.018

Patent ID: