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Appl. Sci. 2016, 6(7), 198;

Synthesis of Novel Chalcones as Acetylcholinesterase Inhibitors

Department of Medicinal Chemistry, Faculty of Pharmacy, University of Medicine and Pharmacy at Ho Chi Minh City, 41 Dinh Tien Hoang St., Dist 1, Ho Chi Minh City 700000, Vietnam
Faculty of Applied Sciences, Ton Duc Thang University, 19 Nguyen Huu Tho St., Tan Phong Ward, Dist 7, Ho Chi Minh City 700000, Vietnam
Authors to whom correspondence should be addressed.
Received: 18 June 2016 / Accepted: 29 June 2016 / Published: 7 July 2016
(This article belongs to the Section Chemistry)
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A new series of benzylaminochalcone derivatives with different substituents on ring B were synthesized and evaluated as inhibitors of acetylcholinesterase. The study is aimed at identification of novel benzylaminochalcones capable of blocking acetylcholinesterase activity for further development of an approach to Alzheimer’s disease treatment. These compounds were produced in moderate to good yields via Claisen-Schmidt condensation and subjected to an in vitro acetylcholinesterase inhibition assay, using Ellman’s method. The in silico docking procedure was also employed to identify molecular interactions between the chalcone compounds and the enzyme. Compounds with ring B bearing pyridin-4-yl, 4-nitrophenyl, 4-chlorophenyl and 3,4-dimethoxyphenyl moieties were discovered to exhibit significant inhibitory activities against acetylcholinesterase, with IC50 values ranging from 23 to 39 µM. The molecular modeling studies are consistent with the hypothesis that benzylaminochalcones could exert their effects as dual-binding-site acetylcholinesterase inhibitors, which might simultaneously enhance cholinergic neurotransmission and inhibit β-amyloid aggregation through binding to both catalytic and peripheral sites of the enzyme. These derivatives could be further developed to provide novel leads for the discovery of new anti-Alzheimer drugs in the future. View Full-Text
Keywords: benzylaminochalcones; Claisen-Schmidt condensation; acetylcholinesterase; Ellman’s method; β-amyloid aggregation; docking benzylaminochalcones; Claisen-Schmidt condensation; acetylcholinesterase; Ellman’s method; β-amyloid aggregation; docking

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Tran, T.-D.; Nguyen, T.-C.-V.; Nguyen, N.-S.; Nguyen, D.-M.; Nguyen, T.-T.-H.; Le, M.-T.; Thai, K.-M. Synthesis of Novel Chalcones as Acetylcholinesterase Inhibitors. Appl. Sci. 2016, 6, 198.

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