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Design, synthesis and molecular modeling of isothiochromanone derivatives as acetylcholinesterase inhibitors

Shuai, Wen; Li, Wenlong; Yin, Ying; Yang, Limei; Xu, Feijie; Xu, Shengtao; Yao, Hequan; Zhu, Zheying; Xu, Jinyi

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Authors

Wen Shuai

Wenlong Li

Ying Yin

Limei Yang

Feijie Xu

Shengtao Xu

Hequan Yao

ZHEYING ZHU Zheying.Zhu@nottingham.ac.uk
Associate Professor in International Pharmacy and Traditional Medicines

Jinyi Xu



Abstract

A series of novel isothio- and isoselenochromanone derivatives bearing N-benzyl pyridinium moiety were designed, synthesized and evaluated as acetylcholinesterase (AChE) inhibitors. Results: Most of the target compounds exhibited potent anti-AChE activities with IC50 values in nanomolar ranges. Among them, compound 15a exhibited the most potent anti-AChE activity (IC50 = 2.7 nM), moderate antioxidant activity and low neurotoxicity. Moreover, the kinetic and docking studies revealed that compound 15a was a mixed-type inhibitor, which bounds to peripheral anionic site and catalytic active site of AChE. Conclusion: Those results suggested that compound 15a might be a potential candidate for AD treatment.

Citation

Shuai, W., Li, W., Yin, Y., Yang, L., Xu, F., Xu, S., …Xu, J. (2019). Design, synthesis and molecular modeling of isothiochromanone derivatives as acetylcholinesterase inhibitors. Future Medicinal Chemistry, 11(20), 2687-2699. https://doi.org/10.4155/fmc-2019-0125

Journal Article Type Article
Acceptance Date Aug 6, 2019
Online Publication Date Oct 9, 2019
Publication Date 2019-10
Deposit Date Nov 25, 2019
Publicly Available Date Mar 28, 2024
Journal Future Medicinal Chemistry
Print ISSN 1756-8919
Electronic ISSN 1756-8927
Publisher Future Science
Peer Reviewed Peer Reviewed
Volume 11
Issue 20
Pages 2687-2699
DOI https://doi.org/10.4155/fmc-2019-0125
Keywords • Acetylcholinesterase inhibitor; Alzheimer's disease; Dual binding site; isoselenochromanone; isothiochromanone
Public URL https://nottingham-repository.worktribe.com/output/3407041
Publisher URL https://www.future-science.com/doi/10.4155/fmc-2019-0125

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