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Discovery of a New Donepezil-like Acetylcholinesterase Inhibitor for Targeting Alzheimer’s Disease: Computational Studies with Biological Validation
- Source :
- Journal of Chemical Information and Modeling. 60:4717-4729
- Publication Year :
- 2020
- Publisher :
- American Chemical Society (ACS), 2020.
-
Abstract
- Alzheimer's disorder is one of the most common worldwide health problems, and its prevalence continues to increase, thereby straining the healthcare budgets of both developed and developing countries. So far, donepezil is the only Food and Drug Administration-approved dual-binding site inhibitor of acetylcholinesterase (AChE) that can amplify the cholinergic activity and also decrease Aβ aggregation in Alzheimer patients. We report herein a new donepezil-like natural compound derivative (D1) as a convincing AChE inhibitor. The
- Subjects :
- medicine.drug_class
General Chemical Engineering
In silico
Disease
Library and Information Sciences
Pharmacology
01 natural sciences
Health problems
Alzheimer Disease
0103 physical sciences
medicine
Biological validation
Humans
Donepezil
Mode of action
Binding Sites
010304 chemical physics
General Chemistry
0104 chemical sciences
Computer Science Applications
010404 medicinal & biomolecular chemistry
Acetylcholinesterase inhibitor
Acetylcholinesterase
Cholinesterase Inhibitors
Acetylcholine
medicine.drug
Subjects
Details
- ISSN :
- 1549960X and 15499596
- Volume :
- 60
- Database :
- OpenAIRE
- Journal :
- Journal of Chemical Information and Modeling
- Accession number :
- edsair.doi.dedup.....c177ffdb3f0484c17af1ee7ffe3933bf
- Full Text :
- https://doi.org/10.1021/acs.jcim.0c00496