학술논문
Design and synthesis of 2,4‐dioxochroman‐pyridinium‐phenylacetamide derivatives as new anti‐Alzheimer agents: in vitro and in silico studies.
Document Type
Article
Author
Source
Subject
*IN vitro studies
*MOLECULAR models
*DRUG standards
*BUTYRYLCHOLINESTERASE
*CARCINOGENICITY
*ACYLTRANSFERASES
*ACETYLCHOLINESTERASE
*TACRINE
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Language
ISSN
0009-4536
Abstract
2,4‐Dioxochroman‐pyridinium‐phenylacetamide derivatives 7a–n were synthesized and evaluated for their in vitro cholinesterase (ChE) inhibitory activities against acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE). Obtained results demonstrated that, among the synthesized compounds, two compounds, 7j and 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 [ABSTRACT FROM AUTHOR]