Discovery of promising cholinesterase inhibitors for Alzheimer's disease treatment through DFT, docking, and molecular dynamics studies of eugenol derivatives

H Nour, A Abdou, S Belaidi, JE Jamal… - Journal of the …, 2022 - Wiley Online Library
Cholinesterase enzymes are promising drug targets for the symptomatic treatment of
Alzheimer's disease. Indeed, the activity inhibition of these acetylcholine‐degrading …

Coumarin derivatives as acetyl-and butyrylcholinestrase inhibitors: An in vitro, molecular docking, and molecular dynamics simulations study

MN Abu-Aisheh, A Al-Aboudi, MS Mustafa… - Heliyon, 2019 - cell.com
Alzheimer's disease is an irreversible and progressive brain disease that can cause
problems with memory and thinking skills. It is characterized by loss of cognitive ability and …

Citronellal as a promising candidate for Alzheimer's disease treatment: A comprehensive study on in silico and in vivo anti-acetylcholine esterase activity

DS Prasanth, MKR Shadakshara, SF Ahmad… - Metabolites, 2023 - mdpi.com
One of the primary therapeutic approaches for managing Alzheimer's disease (AD) involves
the modulation of Acetylcholine esterase (AChE) activity to elevate acetylcholine (ACh) …

Acetylcholinesterase inhibition of Alzheimer's disease: Identification of potential phytochemicals and designing more effective derivatives to manage disease condition

HK Koly, K Sutradhar, MS Rahman - Journal of Biomolecular …, 2023 - Taylor & Francis
Alzheimer's disease (AD) is a brain disease characterized by gradual memory loss and
cognitive impairments. Acetylcholinesterase (AChE) inhibitors—such as donepezil …

Synthesis, biological evaluation and molecular modeling studies of modulated benzyloxychalcones as potential acetylcholinesterase inhibitors

A Abdalla Ali, SA Mhamad, AH Hasan… - Journal of …, 2024 - Taylor & Francis
Acetylcholinesterase inhibitors (AChEIs) have become a significant target in the search for
an efficient treatment of Alzheimer's disease. Chalcone-based compounds display a strong …

Discovery of a new donepezil-like acetylcholinesterase inhibitor for targeting Alzheimer's disease: computational studies with biological validation

BA Akhoon, S Choudhary, H Tiwari… - Journal of Chemical …, 2020 - ACS Publications
Alzheimer's disorder is one of the most common worldwide health problems, and its
prevalence continues to increase, thereby straining the healthcare budgets of both …

[HTML][HTML] Novel ligand-based docking; molecular dynamic simulations; and absorption, distribution, metabolism, and excretion approach to analyzing potential …

S Vijayakumar, P Manogar, S Prabhu… - Journal of Pharmaceutical …, 2018 - Elsevier
Acetylcholinesterase (AChE) plays an important role in Alzheimer's disease (AD). The
excessive activity of AChE causes various neuronal problems, particularly dementia and …

Identification of novel acetylcholinesterase inhibitors through e-pharmacophore-based virtual screening and molecular dynamics simulations

R Malik, BS Choudhary, S Srivastava… - Journal of …, 2017 - Taylor & Francis
Alzheimer's disease (AD), a progressive neurodegenerative disorder is the most common
cause of dementia among elderly people. To date, the successful therapeutic strategy to …

Design and development of novel p-aminobenzoic acid derivatives as potential cholinesterase inhibitors for the treatment of Alzheimer's disease

SK Shrivastava, SK Sinha, P Srivastava, PN Tripathi… - Bioorganic …, 2019 - Elsevier
Based on the quantitative structure-activity relationship (QSAR), some novel p-
aminobenzoic acid derivatives as promising cholinesterase enzyme inhibitors were …

Molecular modeling studies of piperidine derivatives as new acetylcholinesterase inhibitors against neurodegenerative diseases

EFF da Cunha, JE Resende, TCC Franca… - Journal of …, 2013 - Wiley Online Library
Neurodegenerative disorders are related to the progressive loss of structure or function and,
eventually, death of neurons. These processes are responsible for diseases like …