학술논문

Design and synthesis of 2,4‐dioxochroman‐pyridinium‐phenylacetamide derivatives as new anti‐Alzheimeragents: in vitro and in silico studies
Document Type
Article
Source
Journal of the Chinese Chemical Society; October 2020, Vol. 67 Issue: 10 p1910-1928, 19p
Subject
Language
ISSN
00094536; 21926549
Abstract
2,4‐Dioxochroman‐pyridinium‐phenylacetamide derivatives 7a–nwere synthesized and evaluated for their in vitrocholinesterase (ChE) inhibitory activities against acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE). Obtained results demonstrated that, among the synthesized compounds, two compounds, 7jand 7k, were more potent than the standard drug donepezil against BuChE and did not show cytotoxicity and carcinogenicity. Furthermore, through molecular modeling and molecular dynamic studies. we showed that these compounds can be located deep in the gorge cavity of BuChE and that they interacted with catalytic residues, acyl, and cholin‐binding pockets of this enzyme. Support information In this work, a new series of 2,4‐dioxochroman‐pyridinium‐phenylacetamide derivatives 7a–nwere synthesized and evaluated for their in vitrocholinesterase (ChE) inhibitory activities against acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE). Among the synthesized compounds, two compounds 7jand 7kwere more potent than standard drug donepezil against BuChE.