Virtual screening and hit selection of natural compounds as acetylcholinesterase inhibitors

M Atanasova, I Dimitrov, S Ivanov, B Georgiev… - Molecules, 2022 - mdpi.com
Acetylcholinesterase (AChE) is one of the classical targets in the treatment of Alzheimer's
disease (AD). Inhibition of AChE slows down the hydrolysis of acetycholine and increases …

A computational approach to identify phytochemicals as potential inhibitor of acetylcholinesterase: Molecular docking, ADME profiling and molecular dynamics …

M Azmal, MS Hossen, MNH Shohan, R Taqui, A Malik… - Plos one, 2024 - journals.plos.org
Inhibition of acetylcholinesterase (AChE) is a crucial target in the treatment of Alzheimer's
disease (AD). Common anti-acetylcholinesterase drugs such as Galantamine, Rivastigmine …

Discovery of a novel acetylcholinesterase inhibitor by structure-based virtual screening techniques

Y Chen, L Fang, S Peng, H Liao, J Lehmann… - Bioorganic & medicinal …, 2012 - Elsevier
Acetylcholinesterase (AChE) is considered to be one of the most important targets for the
treatment of Alzheimer's disease (AD). Previously our group has reported a series of tacrine …

Molecular evaluation of herbal compounds as potent inhibitors of acetylcholinesterase for the treatment of Alzheimer's disease

YX Chen, GZ Li, B Zhang… - Molecular Medicine …, 2016 - spandidos-publications.com
Alzheimer's disease (AD) is a progressive disease and the predominant cause of dementia.
Common symptoms include short-term memory loss, and confusion with time and place …

Biocomputational screening of natural compounds against acetylcholinesterase

SS Ahmad, MB Khan, K Ahmad, JH Lim, S Shaikh… - Molecules, 2021 - mdpi.com
Alzheimer's disease (AD) is the most common form of dementia and is characterized by
irreversible and progressive neurodegeneration. Cholinergic dysfunction has been reported …

Discovery of new multifunctional selective acetylcholinesterase inhibitors: structure-based virtual screening and biological evaluation

CS Jiang, YX Ge, ZQ Cheng, JL Song, YY Wang… - Journal of Computer …, 2019 - Springer
Although the mechanism of Alzheimer's disease (AD) is still not fully understood, the
development of multifunctional AChE inhibitors remains a research focus for AD treatment …

[HTML][HTML] Screening and analysis of acetyl-cholinesterase (AChE) inhibitors in the context of Alzheimer's disease

MB Khan, BK Palaka, TD Sapam, N Subbarao… - …, 2018 - ncbi.nlm.nih.gov
Acetyl-cholinesterase enzyme (AChE) is a known target for identifying potential inhibitors
against Alzheimer diseases (AD). Therefore, it is of interest to screen AChE with the CNS …

Identifying possible AChE inhibitors from drug-like molecules via machine learning and experimental studies

TH Nguyen, PT Tran, NQA Pham, VH Hoang… - ACS …, 2022 - ACS Publications
Acetylcholinesterase (AChE) is one of the most important drug targets for Alzheimer's
disease (AD) treatment. In this work, a machine learning model was trained to rapidly and …

Searching for AChE inhibitors from natural compounds by using machine learning and atomistic simulations

QM Thai, TNH Pham, DM Hiep, MQ Pham… - Journal of Molecular …, 2022 - Elsevier
Acetylcholinesterase (AChE) is one of the most important drug targets for Alzheimer's
disease treatment. In this work, a combined approach involving machine-learning (ML) …

Designing second generation anti-Alzheimer compounds as inhibitors of human acetylcholinesterase: Computational screening of synthetic molecules and dietary …

H Amat-ur-Rasool, M Ahmed - PLoS One, 2015 - journals.plos.org
Alzheimer's disease (AD), a big cause of memory loss, is a progressive neurodegenerative
disorder. The disease leads to irreversible loss of neurons that result in reduced level of …