| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1368741 | Bioorganic & Medicinal Chemistry Letters | 2016 | 5 Pages |
Abstract
We have previously shown the improved acetylcholinesterase inhibitory activity of a model hydroxypyridinone compound transforming the hydroxyl group on the main ring into an N,N-dimethylcarbamate group; in the course of that study we developed a computational model to screen compounds for enzymatic activity. Herein we report development of second generation libraries. Candidates that adhere to drug-like criteria from a virtual library of compounds were tested using computational docking studies. Synthesis and characterization of chosen test compounds and their acetylcholinesterase inhibitory activity are presented.
Graphical abstractFigure optionsDownload full-size imageDownload as PowerPoint slide
Related Topics
Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
Maria A. Telpoukhovskaia, Brian O. Patrick, Cristina Rodríguez-Rodríguez, Chris Orvig,