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Hydroxybenzoic Acids as Acetylcholinesterase Inhibitors: Calorimetric and Docking Simulation Studies
One of the symptoms of Alzheimer’s disease (AD) is low acetylcholine level due to high acetylcholinesterase (AChE) activity. For this reason, AChE inhibitors are used in the treatment of AD, the prolonged use of which may cause a cholinergic crisis. There is a need to search for safe natural AChE in...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9227119/ https://www.ncbi.nlm.nih.gov/pubmed/35745206 http://dx.doi.org/10.3390/nu14122476 |
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author | Budryn, Grażyna Majak, Iwona Grzelczyk, Joanna Szwajgier, Dominik Rodríguez-Martínez, Alejandro Pérez-Sánchez, Horacio |
author_facet | Budryn, Grażyna Majak, Iwona Grzelczyk, Joanna Szwajgier, Dominik Rodríguez-Martínez, Alejandro Pérez-Sánchez, Horacio |
author_sort | Budryn, Grażyna |
collection | PubMed |
description | One of the symptoms of Alzheimer’s disease (AD) is low acetylcholine level due to high acetylcholinesterase (AChE) activity. For this reason, AChE inhibitors are used in the treatment of AD, the prolonged use of which may cause a cholinergic crisis. There is a need to search for safe natural AChE inhibitors. The study analyzed 16 hydroxybenzoic acids using calorimetry and docking simulation as AChE inhibitors. All tested compounds were shown to inhibit the hydrolysis of ACh. The best properties were shown by methyl syringinate, which acted as competitive inhibitor at a catalytic site. The tested compounds also interacted with the anionic or peripheral binding site known to block β-amyloid plaques formation. The activity of the tested hydroxybenzoic acids IC50 ranged from 5.50 to 34.19 µmol/µmol of AChE, and the binding constant Ka from 20.53 to 253.16 L/mol, which proves their reversible, non-toxic effect, and activity at physiological concentrations. |
format | Online Article Text |
id | pubmed-9227119 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-92271192022-06-25 Hydroxybenzoic Acids as Acetylcholinesterase Inhibitors: Calorimetric and Docking Simulation Studies Budryn, Grażyna Majak, Iwona Grzelczyk, Joanna Szwajgier, Dominik Rodríguez-Martínez, Alejandro Pérez-Sánchez, Horacio Nutrients Article One of the symptoms of Alzheimer’s disease (AD) is low acetylcholine level due to high acetylcholinesterase (AChE) activity. For this reason, AChE inhibitors are used in the treatment of AD, the prolonged use of which may cause a cholinergic crisis. There is a need to search for safe natural AChE inhibitors. The study analyzed 16 hydroxybenzoic acids using calorimetry and docking simulation as AChE inhibitors. All tested compounds were shown to inhibit the hydrolysis of ACh. The best properties were shown by methyl syringinate, which acted as competitive inhibitor at a catalytic site. The tested compounds also interacted with the anionic or peripheral binding site known to block β-amyloid plaques formation. The activity of the tested hydroxybenzoic acids IC50 ranged from 5.50 to 34.19 µmol/µmol of AChE, and the binding constant Ka from 20.53 to 253.16 L/mol, which proves their reversible, non-toxic effect, and activity at physiological concentrations. MDPI 2022-06-15 /pmc/articles/PMC9227119/ /pubmed/35745206 http://dx.doi.org/10.3390/nu14122476 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Budryn, Grażyna Majak, Iwona Grzelczyk, Joanna Szwajgier, Dominik Rodríguez-Martínez, Alejandro Pérez-Sánchez, Horacio Hydroxybenzoic Acids as Acetylcholinesterase Inhibitors: Calorimetric and Docking Simulation Studies |
title | Hydroxybenzoic Acids as Acetylcholinesterase Inhibitors: Calorimetric and Docking Simulation Studies |
title_full | Hydroxybenzoic Acids as Acetylcholinesterase Inhibitors: Calorimetric and Docking Simulation Studies |
title_fullStr | Hydroxybenzoic Acids as Acetylcholinesterase Inhibitors: Calorimetric and Docking Simulation Studies |
title_full_unstemmed | Hydroxybenzoic Acids as Acetylcholinesterase Inhibitors: Calorimetric and Docking Simulation Studies |
title_short | Hydroxybenzoic Acids as Acetylcholinesterase Inhibitors: Calorimetric and Docking Simulation Studies |
title_sort | hydroxybenzoic acids as acetylcholinesterase inhibitors: calorimetric and docking simulation studies |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9227119/ https://www.ncbi.nlm.nih.gov/pubmed/35745206 http://dx.doi.org/10.3390/nu14122476 |
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