AIMC Topic: Cholinesterase Inhibitors

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Selected essential oils inhibit key physiological enzymes and possess intracellular and extracellular antimelanogenic properties in vitro.

Journal of food and drug analysis Apr 20, 2017
Essential oils (EOs) extracted from six medicinal herbs and food plants [Cinnamomum zeylanicum (CZ), Psiadia arguta (PA), Psiadia terebinthina (PT), Citrus grandis (CGp), Citrus hystrix (CH), and Citrus reticulata (CR)] were studied for any inhibitor...
Melanins Gene Expression Regulation, Enzymologic Plant Extracts Cholinesterase Inhibitors Oils, Volatile Hypoglycemic Agents Enzyme Inhibitors Mice Collagenases Humans Plants, Medicinal Biosynthetic Pathways Melanoma, Experimental Animals Matrix Metalloproteinase Inhibitors Kinetics
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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...
Molecular Conformation Quantitative Structure-Activity Relationship Expert Systems Catalytic Domain Nootropic Agents Binding Sites Peptide Mapping GPI-Linked Proteins Insecticides Acetylcholinesterase Cholinesterase Inhibitors Ligands Nerve Tissue Proteins Models, Molecular Computational Biology Humans Databases, Protein Artificial Intelligence Molecular Docking Simulation Imaging, Three-Dimensional Animals
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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...
Neuroprotective Agents Molecular Dynamics Simulation Drug Evaluation, Preclinical Drug Discovery Protein Binding Cholinesterase Inhibitors Machine Learning Quantitative Structure-Activity Relationship Molecular Docking Simulation Butyrylcholinesterase Alzheimer Disease Humans Ligands
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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 Quantitative Structure-Activity Relationship Butyrylcholinesterase Cholinesterase Inhibitors Molecular Docking Simulation Databases, Chemical Acetylcholinesterase
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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...
Candida Antifungal Agents Monophenol Monooxygenase Plants, Medicinal Molecular Structure Plant Leaves Phytochemicals Anti-Bacterial Agents Bacteria Microbial Sensitivity Tests Plant Extracts Aspergillus niger Cholinesterase Inhibitors Solvents Phytotherapy Rhizophoraceae
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