Issue 110, 2015

Discovery of new scaffolds from approved drugs as acetylcholinesterase inhibitors

Abstract

Acetylcholinesterase inhibitors (AChEIs) are considered to be one of the most successful therapeutic strategies in the treatment of Alzheimer's disease (AD). To enlarge the scale of chemical scaffolds served as AChEIs, a compound collection containing 1280 approved drugs by the U. S. food and drug administration (FDA) was screened. Six drugs, including Alfuzosin, Tandutinib, Dyclonine, Nefazodone, Miconazole and Mesoridazine exhibited potent inhibitory effects on acetylcholinesterase (AChE). The binding mode indicated their “dual site binding” manner, which targeted the catalytic site (CAS) and peripheral anionic site (PAS) simultaneously. Considering that approved drugs have proper physicochemical properties and good safety, these drugs provided us with good starting point to further design selective and potent AChEIs with novel scaffold and good drug-like ability.

Graphical abstract: Discovery of new scaffolds from approved drugs as acetylcholinesterase inhibitors

Article information

Article type
Paper
Submitted
22 Sep 2015
Accepted
15 Oct 2015
First published
15 Oct 2015

RSC Adv., 2015,5, 90288-90294

Author version available

Discovery of new scaffolds from approved drugs as acetylcholinesterase inhibitors

Y. Chen, X. Xu, T. Fu, W. Li, Z. Liu and H. Sun, RSC Adv., 2015, 5, 90288 DOI: 10.1039/C5RA19551A

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