Next Article in Journal
Global Gene Expression Profiling Reveals Functional Importance of Sirt2 in Endothelial Cells under Oxidative Stress
Previous Article in Journal
MicroRNAs Involved in Anti-Tumour Immunity
Int. J. Mol. Sci. 2013, 14(3), 5608-5632; doi:10.3390/ijms14035608

Structure-Based Search for New Inhibitors of Cholinesterases

1 Department of Physicochemical Drug Analysis, Faculty of Pharmacy, Medical College, Jagiellonian University, Kraków 30-688, Medyczna 9, Poland 2 Institute of Pharmacy and Food Chemistry, University of Wuerzburg, Wuerzburg D-97074, Am Hubland, Germany
* Author to whom correspondence should be addressed.
Received: 28 December 2012 / Revised: 31 January 2013 / Accepted: 28 February 2013 / Published: 11 March 2013
View Full-Text   |   Download PDF [643 KB, uploaded 19 June 2014]   |   Browse Figures


Cholinesterases are important biological targets responsible for regulation of cholinergic transmission, and their inhibitors are used for the treatment of Alzheimer’s disease. To design new cholinesterase inhibitors, of different structure-based design strategies was followed, including the modification of compounds from a previously developed library and a fragment-based design approach. This led to the selection of heterodimeric structures as potential inhibitors. Synthesis and biological evaluation of selected candidates confirmed that the designed compounds were acetylcholinesterase inhibitors with IC50 values in the mid-nanomolar to low micromolar range, and some of them were also butyrylcholinesterase inhibitors.
Keywords: acetylcholinesterase; butyrylcholinesterase; cholinesterases inhibitors; drug design; fragment-based design acetylcholinesterase; butyrylcholinesterase; cholinesterases inhibitors; drug design; fragment-based design
This is an open access article distributed under the Creative Commons Attribution License (CC BY) which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Share & Cite This Article

Further Mendeley | CiteULike
Export to BibTeX |
EndNote |
MDPI and ACS Style

Bajda, M.; Więckowska, A.; Hebda, M.; Guzior, N.; Sotriffer, C.A.; Malawska, B. Structure-Based Search for New Inhibitors of Cholinesterases. Int. J. Mol. Sci. 2013, 14, 5608-5632.

View more citation formats

Related Articles

Article Metrics

For more information on the journal, click here


[Return to top]
Int. J. Mol. Sci. EISSN 1422-0067 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert