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Dual inhibition of the α-glucosidase and butyrylcholinesterase studied by molecular field topology analysis.
- Source :
-
European journal of medicinal chemistry [Eur J Med Chem] 2014 Jun 10; Vol. 80, pp. 228-42. Date of Electronic Publication: 2014 Apr 05. - Publication Year :
- 2014
-
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.<br /> (Copyright © 2014 Elsevier Masson SAS. All rights reserved.)
- Subjects :
- Inhibitory Concentration 50
Quantitative Structure-Activity Relationship
Butyrylcholinesterase metabolism
Cholinesterase Inhibitors chemistry
Cholinesterase Inhibitors pharmacology
Drug Design
Glycoside Hydrolase Inhibitors chemistry
Glycoside Hydrolase Inhibitors pharmacology
alpha-Glucosidases metabolism
Subjects
Details
- Language :
- English
- ISSN :
- 1768-3254
- Volume :
- 80
- Database :
- MEDLINE
- Journal :
- European journal of medicinal chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 24780600
- Full Text :
- https://doi.org/10.1016/j.ejmech.2014.04.018