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Synthesis, In Silico and In Vitro Evaluation of Some Flavone Derivatives for Acetylcholinesterase and BACE-1 Inhibitory Activity
Acetylcholinesterase (AChE) and β-secretase (BACE-1) have become attractive therapeutic targets for Alzheimer’s disease (AD). Flavones are flavonoid derivatives with various bioactive effects, including AChE and BACE-1 inhibition. In the present work, a series of 14 flavone derivatives was synthesiz...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7570966/ https://www.ncbi.nlm.nih.gov/pubmed/32899576 http://dx.doi.org/10.3390/molecules25184064 |
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author | Tran, Thai-Son Tran, Thanh-Dao Tran, The-Huan Mai, Thanh-Tan Nguyen, Ngoc-Le Thai, Khac-Minh Le, Minh-Tri |
author_facet | Tran, Thai-Son Tran, Thanh-Dao Tran, The-Huan Mai, Thanh-Tan Nguyen, Ngoc-Le Thai, Khac-Minh Le, Minh-Tri |
author_sort | Tran, Thai-Son |
collection | PubMed |
description | Acetylcholinesterase (AChE) and β-secretase (BACE-1) have become attractive therapeutic targets for Alzheimer’s disease (AD). Flavones are flavonoid derivatives with various bioactive effects, including AChE and BACE-1 inhibition. In the present work, a series of 14 flavone derivatives was synthesized in relatively high yields (35–85%). Six of the synthetic flavones (B4, B5, B6, B8, D6 and D7) had completely new structures. The AChE and BACE-1 inhibitory activities were tested, giving pIC(50) 3.47–4.59 (AChE) and 4.15–5.80 (BACE-1). Three compounds (B3, D5 and D6) exhibited the highest biological effects on both AChE and BACE-1. A molecular docking investigation was conducted to explain the experimental results. These molecules could be employed for further studies to discover new structures with dual action on both AChE and BACE-1 that could serve as novel therapies for AD. |
format | Online Article Text |
id | pubmed-7570966 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-75709662020-10-28 Synthesis, In Silico and In Vitro Evaluation of Some Flavone Derivatives for Acetylcholinesterase and BACE-1 Inhibitory Activity Tran, Thai-Son Tran, Thanh-Dao Tran, The-Huan Mai, Thanh-Tan Nguyen, Ngoc-Le Thai, Khac-Minh Le, Minh-Tri Molecules Article Acetylcholinesterase (AChE) and β-secretase (BACE-1) have become attractive therapeutic targets for Alzheimer’s disease (AD). Flavones are flavonoid derivatives with various bioactive effects, including AChE and BACE-1 inhibition. In the present work, a series of 14 flavone derivatives was synthesized in relatively high yields (35–85%). Six of the synthetic flavones (B4, B5, B6, B8, D6 and D7) had completely new structures. The AChE and BACE-1 inhibitory activities were tested, giving pIC(50) 3.47–4.59 (AChE) and 4.15–5.80 (BACE-1). Three compounds (B3, D5 and D6) exhibited the highest biological effects on both AChE and BACE-1. A molecular docking investigation was conducted to explain the experimental results. These molecules could be employed for further studies to discover new structures with dual action on both AChE and BACE-1 that could serve as novel therapies for AD. MDPI 2020-09-05 /pmc/articles/PMC7570966/ /pubmed/32899576 http://dx.doi.org/10.3390/molecules25184064 Text en © 2020 by the authors. 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 (http://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Tran, Thai-Son Tran, Thanh-Dao Tran, The-Huan Mai, Thanh-Tan Nguyen, Ngoc-Le Thai, Khac-Minh Le, Minh-Tri Synthesis, In Silico and In Vitro Evaluation of Some Flavone Derivatives for Acetylcholinesterase and BACE-1 Inhibitory Activity |
title | Synthesis, In Silico and In Vitro Evaluation of Some Flavone Derivatives for Acetylcholinesterase and BACE-1 Inhibitory Activity |
title_full | Synthesis, In Silico and In Vitro Evaluation of Some Flavone Derivatives for Acetylcholinesterase and BACE-1 Inhibitory Activity |
title_fullStr | Synthesis, In Silico and In Vitro Evaluation of Some Flavone Derivatives for Acetylcholinesterase and BACE-1 Inhibitory Activity |
title_full_unstemmed | Synthesis, In Silico and In Vitro Evaluation of Some Flavone Derivatives for Acetylcholinesterase and BACE-1 Inhibitory Activity |
title_short | Synthesis, In Silico and In Vitro Evaluation of Some Flavone Derivatives for Acetylcholinesterase and BACE-1 Inhibitory Activity |
title_sort | synthesis, in silico and in vitro evaluation of some flavone derivatives for acetylcholinesterase and bace-1 inhibitory activity |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7570966/ https://www.ncbi.nlm.nih.gov/pubmed/32899576 http://dx.doi.org/10.3390/molecules25184064 |
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