AIMC Topic: Acetylcholinesterase

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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...
Humans Artificial Intelligence Animals Molecular Docking Simulation Imaging, Three-Dimensional Computational Biology Databases, Protein Nerve Tissue Proteins Models, Molecular GPI-Linked Proteins Insecticides Ligands Acetylcholinesterase Cholinesterase Inhibitors Expert Systems Catalytic Domain Molecular Conformation Quantitative Structure-Activity Relationship Binding Sites Peptide Mapping Nootropic Agents
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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 Molecular Docking Simulation Acetylcholinesterase Cholinesterase Inhibitors Databases, Chemical Quantitative Structure-Activity Relationship Butyrylcholinesterase
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