Chalcone scaffolds exhibiting acetylcholinesterase enzyme inhibition: Mechanistic and computational investigations

YA Malik, TA Awad, M Abdalla, S Yagi, HA Alhazmi… - Molecules, 2022 - mdpi.com
This study was aimed to perform the mechanistic investigations of chalcone scaffold as
inhibitors of acetylcholinesterase (AChE) enzyme using molecular docking and molecular …

Biological evaluation, molecular modeling and dynamics simulation of phenanthrenes isolated from Bletillastriata as butyrylcholinesterase inhibitors

Y Liu, Y Tu, Y Kang, C Zhu, C Wu, G Chen, Z Liu… - Scientific Reports, 2022 - nature.com
As part of our continuous studies on natural cholinesterase inhibitors from plant kingdom,
the 95% ethanol extract from tubers of Bletilla striata showed promising …

Discovery of novel coumarin-schiff base hybrids as potential acetylcholinesterase inhibitors: design, synthesis, enzyme inhibition, and computational studies

AH Hasan, FA Abdulrahman, AJ Obaidullah… - Pharmaceuticals, 2023 - mdpi.com
To discover anti-acetylcholinesterase agents for the treatment of Alzheimer's disease (AD), a
series of novel Schiff base-coumarin hybrids was rationally designed, synthesized …

Combined QSAR, molecular docking and molecular dynamics study on new Acetylcholinesterase and Butyrylcholinesterase inhibitors

I Daoud, N Melkemi, T Salah, S Ghalem - Computational biology and …, 2018 - Elsevier
Background and purpose This work deals with several molecular modeling methods used to
discover new therapeutic agents for treating the Alzheimer's disease (AD). The cholinergic …

Novel series of triazole containing coumarin and isatin based hybrid molecules as acetylcholinesterase inhibitors

K Bhagat, JV Singh, A Sharma, A Kaur, N Kumar… - Journal of Molecular …, 2021 - Elsevier
Novel series of coumarin-triazole and isatin-triazole hybrids were rationally designed,
synthesized and biologically evaluated to check their inhibitory potential against …

Design, synthesis and molecular docking simulation of oxindole-based derivatives with dual VEGFR-2 and cholinesterase inhibitory activities

AM Srour, DH Dawood, ES Nossier… - Journal of Molecular …, 2023 - Elsevier
Oxindole-based compounds are deemed to be an interesting scaffold with significant
VEGFR-2 and cholinesterase inhibitory properties. Regarding the studies that displayed the …

Acetylcholinesterase inhibitory activities of some flavonoids from the root bark of Pinus krempfii Lecomte: in vitro and in silico study

NM Cuong, PN Khanh, LTH Nhung, NX Ha… - Journal of …, 2024 - Taylor & Francis
From the root bark of Pinus krempfii Lecomte, four flavonoids were isolated and evaluated
for their inhibitory activities against AChE and BChE enzymes in vitro and in silico …

Anticholinesterase activities of novel isoindolin-1, 3-dione-based acetohydrazide derivatives: design, synthesis, biological evaluation, molecular dynamic study

A Nazarian, F Abedinifar, H Hamedifar, MH Hashempur… - BMC chemistry, 2024 - Springer
In pursuit of developing novel cholinesterase (ChE) inhibitors through molecular
hybridization theory, a novel series of isoindolin-1, 3-dione-based acetohydrazides …

Design and synthesis of novel chalcone derivatives and evaluation of their inhibitory activities against acetylcholinesterase

I Ceyhun, Ş Karaca, D Osmaniye, BN Sağlık… - Archiv der …, 2022 - Wiley Online Library
According to the cholinergic hypothesis, an increase in the acetylcholine level in Alzheimer's
disease patients relatively slows down the symptoms of the disease. The most commonly …

Design, synthesis, structure activity relationship and molecular docking studies of thiophene-2-carboxamide Schiff base derivatives of benzohydrazide as novel …

N Kausar, S Murtaza, MN Arshad, R Munir… - Journal of Molecular …, 2021 - Elsevier
The novel hydrazone derivatives of thiophene-2-carboxamide based benzohydrazide were
designed, synthesized, characterized and explored for their potential as cholinesterase …