Discovery of a New Donepezil-like Acetylcholinesterase Inhibitor for Targeting Alzheimer’s Disease: Computational Studies with Biological Validation
| Autor: | Amit Nargotra, Bashir Akhlaq Akhoon, Harshita Tiwari, Laxmi Rathor, Rakesh Pandey, Manas Ranjan Barik, Ajay Kumar, Sushil Choudhary |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
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 |
| Zdroj: | Journal of Chemical Information and Modeling. 60:4717-4729 |
| ISSN: | 1549-960X 1549-9596 |
| Popis: | 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 |
| Databáze: | OpenAIRE |
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