Next Article in Journal
Composition of Triterpenoids in Inonotus obliquus and Their Anti-Proliferative Activity on Cancer Cell Lines
Next Article in Special Issue
Bcr-Abl Allosteric Inhibitors: Where We Are and Where We Are Going to
Previous Article in Journal
Interconnected Micro, Meso, and Macro Porous Activated Carbon from Bacterial Nanocellulose for Superior Adsorption Properties and Effective Catalytic Performance
Previous Article in Special Issue
Synthesis, Antimicrobial Activity and Molecular Docking of Novel Thiourea Derivatives Tagged with Thiadiazole, Imidazole and Triazine Moieties as Potential DNA Gyrase and Topoisomerase IV Inhibitors
Article

Synthesis, In Silico and In Vitro Evaluation of Some Flavone Derivatives for Acetylcholinesterase and BACE-1 Inhibitory Activity

1
Department of Medicinal Chemistry, Faculty of Pharmacy, University of Medicine and Pharmacy at Ho Chi Minh City, Ho Chi Minh City 700000, Vietnam
2
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, College of Medicine and Pharmacy, Hue University, Hue City 530000, Vietnam
3
Department of Pharmaceutics and Industrial Pharmacy, Faculty of Pharmacy, South Can Tho University, Can Tho City 640000, Vietnam
4
School of Medicine, Vietnam National University Ho Chi Minh City, Ho Chi Minh City 700000, Vietnam
*
Authors to whom correspondence should be addressed.
Academic Editor: Orazio Nicolotti
Received: 17 August 2020 / Revised: 3 September 2020 / Accepted: 4 September 2020 / Published: 5 September 2020
(This article belongs to the Special Issue Design, Synthesis, and Biological Evaluation of Enzyme Inhibitors)
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. View Full-Text
Keywords: in silico; in vitro; QSAR; docking; flavone; acetylcholinesterase; β-secretase in silico; in vitro; QSAR; docking; flavone; acetylcholinesterase; β-secretase
Show Figures

Graphical abstract

MDPI and ACS Style

Tran, T.-S.; Tran, T.-D.; Tran, T.-H.; Mai, T.-T.; Nguyen, N.-L.; Thai, K.-M.; Le, M.-T. Synthesis, In Silico and In Vitro Evaluation of Some Flavone Derivatives for Acetylcholinesterase and BACE-1 Inhibitory Activity. Molecules 2020, 25, 4064. https://0-doi-org.brum.beds.ac.uk/10.3390/molecules25184064

AMA Style

Tran T-S, Tran T-D, Tran T-H, Mai T-T, Nguyen N-L, Thai K-M, Le M-T. Synthesis, In Silico and In Vitro Evaluation of Some Flavone Derivatives for Acetylcholinesterase and BACE-1 Inhibitory Activity. Molecules. 2020; 25(18):4064. https://0-doi-org.brum.beds.ac.uk/10.3390/molecules25184064

Chicago/Turabian Style

Tran, Thai-Son, Thanh-Dao Tran, The-Huan Tran, Thanh-Tan Mai, Ngoc-Le Nguyen, Khac-Minh Thai, and Minh-Tri Le. 2020. "Synthesis, In Silico and In Vitro Evaluation of Some Flavone Derivatives for Acetylcholinesterase and BACE-1 Inhibitory Activity" Molecules 25, no. 18: 4064. https://0-doi-org.brum.beds.ac.uk/10.3390/molecules25184064

Find Other Styles
Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Article Access Map by Country/Region

1
Back to TopTop