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

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.

journal_name

Eur J Med Chem

authors

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

doi

10.1016/j.ejmech.2014.04.018

subject

Has Abstract

pub_date

2014-06-10 00:00:00

pages

228-42

eissn

0223-5234

issn

1768-3254

pii

S0223-5234(14)00337-7

journal_volume

80

pub_type

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