Bibliographic Details
| Title: |
Synthesis, In Silico and In Vitro Evaluation of Some Flavone Derivatives for Acetylcholinesterase and BACE-1 Inhibitory Activity |
| Authors: |
Thai-Son Tran, Thanh-Dao Tran, The-Huan Tran, Thanh-Tan Mai, Ngoc-Le Nguyen, Khac-Minh Thai, Minh-Tri Le |
| Source: |
Molecules, Vol 25, Iss 18, p 4064 (2020) |
| Publisher Information: |
MDPI AG, 2020. |
| Publication Year: |
2020 |
| Collection: |
LCC:Organic chemistry |
| Subject Terms: |
in silico, in vitro, QSAR, docking, flavone, acetylcholinesterase, Organic chemistry, QD241-441 |
| More Details: |
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 pIC50 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. |
| Document Type: |
article |
| File Description: |
electronic resource |
| Language: |
English |
| ISSN: |
1420-3049 |
| Relation: |
https://www.mdpi.com/1420-3049/25/18/4064; https://doaj.org/toc/1420-3049 |
| DOI: |
10.3390/molecules25184064 |
| Access URL: |
https://doaj.org/article/9adf40778f0c474ca95de0903dd21355 |
| Accession Number: |
edsdoj.9adf40778f0c474ca95de0903dd21355 |
| Database: |
Directory of Open Access Journals |
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