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; in revised form: 31 January 2013 / Accepted: 28 February 2013 / Published: 11 March 2013
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Abstract: 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

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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.

AMA Style

Bajda M, Więckowska A, Hebda M, Guzior N, Sotriffer CA, Malawska B. Structure-Based Search for New Inhibitors of Cholinesterases. International Journal of Molecular Sciences. 2013; 14(3):5608-5632.

Chicago/Turabian Style

Bajda, Marek; Więckowska, Anna; Hebda, Michalina; Guzior, Natalia; Sotriffer, Christoph A.; Malawska, Barbara. 2013. "Structure-Based Search for New Inhibitors of Cholinesterases." Int. J. Mol. Sci. 14, no. 3: 5608-5632.

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