Identifying highly effective coumarin-based novel cholinesterase inhibitors by in silico and in vitro studies

FC Onder, K Sahin, M Senturk, S Durdagi… - Journal of Molecular …, 2022 - Elsevier
Inhibition of high cholinesterase levels including acetylcholinesterase (AChE) and
butyrylcholinesterase (BChE), is one of the most important strategies for the treatment of …

Cholinesterase inhibition activity and docking simulation study of coumarin mannich base derivatives

A Kiani, L Jalili-baleh, Z Abdollahi, H Nadri… - Journal of Sciences …, 2019 - jsciences.ut.ac.ir
Inhibition of acetylcholinesterase and butyrylcholinesterase (AChE and BuChE) as two
major forms of cholinesterases (ChEs) is considered as the common approach for the …

[PDF][PDF] In silico study of phytochemicals for anticholinesterase activity as a potential drug target against Alzheimer's disease

TT Khandagale, K Singh, S Sinha, A Puri - Chem. Biol. Lett, 2022 - researchgate.net
CONCLUSION Among the tested 12 phytochemicals in this in silico study, two
phytochemicals Quercetin and Genkwanin have shown efficient binding affinity with active …

Combined molecular modeling and cholinesterase inhibition studies on some natural and semisynthetic O-alkylcoumarin derivatives

IE Orhan, FSS Deniz, RE Salmas, S Durdagi… - Bioorganic …, 2019 - Elsevier
Coumarins of synthetic or natural origins are an important chemical class exerting diverse
pharmacological activities. In the present study, 26 novel O-alkylcoumarin derivatives were …

Combining in silico and in vitro approaches to evaluate the acetylcholinesterase inhibitory profile of some commercially available flavonoids in the management of …

A Kuppusamy, M Arumugam, S George - International journal of biological …, 2017 - Elsevier
The current objective of the study is to identify inhibitory affinity potential of the certain
commercially available flavonoids, against crystal structure of acetylcholinesterase (AChE) …

Design, synthesis, anti-acetylcholinesterase evaluation and molecular modelling studies of novel coumarin-chalcone hybrids

AH Hasan, S Shakya, FHS Hussain… - Journal of …, 2023 - Taylor & Francis
The major enzyme responsible for the hydrolytic breakdown of the neurotransmitter
acetylcholine (ACh) is acetylcholinesterase (AChE). Acetylcholinesterase inhibitors …

Combined in Vitro and in Silico Studies for the Anticholinesterase Activity and Pharmacokinetics of Coumarinyl Thiazoles and Oxadiazoles

A Ibrar, A Khan, M Ali, R Sarwar, S Mehsud… - Frontiers in …, 2018 - frontiersin.org
In a continuation of our previous work for the exploration of novel enzyme inhibitors, two new
coumarin-thiazole 6 (a–o) and coumarin-oxadiazole 11 (a–h) hybrids have been designed …

In silico discovery of noteworthy multi-targeted acetylcholinesterase inhibitors for the treatment of Alzheimer's disease

SC Raka, R Ahamed, A Rahman… - Advances in Traditional …, 2020 - Springer
Alzheimer's disease (AD) is a multifactorial and fatal neurodegenerative disorder. Memory
loss and cognitive decline occur due to death of brain cells. Various important hallmarks of …

Multi-combined QSAR, molecular docking, molecular dynamics simulation, and ADMET of Flavonoid derivatives as potent cholinesterase inhibitors

H Soufi, M Moussaoui, S Baammi… - Journal of …, 2023 - Taylor & Francis
In searching for a new and efficient therapeutic agent against Alzheimer's disease, a
Quantitative structure-activity relationship (QSAR) was derived for 45 Flavonoid derivatives …

Quinoline containing chalcone derivatives as cholinesterase inhibitors and their in silico modeling studies

MS Shah, M Najam-ul-Haq, HS Shah, SUF Rizvi… - … Biology and Chemistry, 2018 - Elsevier
Cholinesterases (ChEs) play a vital role in regulating cholinergic transmission. Inhibition of
ChEs is thought to be an emerging and useful therapeutic target for neurodegenerative …