AIMC Topic: Cholinesterase Inhibitors

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Development of 3D-QSAR Model for Acetylcholinesterase Inhibitors Using a Combination of Fingerprint, Molecular Docking, and Structure-Based Pharmacophore Approaches.

Toxicological sciences : an official journal of the Society of Toxicology Jul 21, 2015
Acetylcholinesterase (AChE), a serine hydrolase vital for regulating the neurotransmitter acetylcholine in animals, has been used as a target for drugs and pesticides. With the increasing availability of AChE crystal structures, with or without ligan...
Nootropic Agents Molecular Conformation Quantitative Structure-Activity Relationship Binding Sites Peptide Mapping Expert Systems Catalytic Domain Cholinesterase Inhibitors Artificial Intelligence Animals Molecular Docking Simulation Imaging, Three-Dimensional Humans GPI-Linked Proteins Nerve Tissue Proteins Insecticides Models, Molecular Ligands Acetylcholinesterase Computational Biology Databases, Protein
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Discovery, Biological Evaluation and Binding Mode Investigation of Novel Butyrylcholinesterase Inhibitors Through Hybrid Virtual Screening.

Molecules (Basel, Switzerland) May 8, 2025
Butyrylcholinesterase (BChE), plays a critical role in alleviating the symptoms of Alzheimer's disease (AD) by regulating acetylcholine levels, emerging as an attractive target for AD treatment. This study employed a quantitative structure-activity r...
Drug Evaluation, Preclinical Machine Learning Alzheimer Disease Molecular Docking Simulation Neuroprotective Agents Quantitative Structure-Activity Relationship Molecular Dynamics Simulation Butyrylcholinesterase Ligands Drug Discovery Cholinesterase Inhibitors Humans Protein Binding
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A modified binary particle swarm optimization with a machine learning algorithm and molecular docking for QSAR modelling of cholinesterase inhibitors.

SAR and QSAR in environmental research Sep 1, 2021
The acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) inhibitors play a key role in treating Alzheimer's disease. This study proposes an approach that integrates a modified binary particle swarm optimization (PSO) with a machine learning ...
Machine Learning Reproducibility of Results Cholinesterase Inhibitors Databases, Chemical Molecular Docking Simulation Acetylcholinesterase Butyrylcholinesterase Quantitative Structure-Activity Relationship
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Tyrosinase inhibition, anti-acetylcholinesterase, and antimicrobial activities of the phytochemicals from Gynotroches axillaris Blume.

Pakistan journal of pharmaceutical sciences Nov 1, 2016
The leaves of Gynotroches axillaris were chemically and biologically studied. Sequential extraction of the leaves using petroleum ether, chloroform, and methanol afforded three extracts. Purification of pet. ether extract yielded, squalene and β-amyr...
Rhizophoraceae Molecular Structure Phytotherapy Monophenol Monooxygenase Plant Extracts Microbial Sensitivity Tests Plant Leaves Bacteria Antifungal Agents Solvents Phytochemicals Anti-Bacterial Agents Aspergillus niger Plants, Medicinal Candida Cholinesterase Inhibitors
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