ReviewBiomolecules2021
A Comprehensive Review of Cholinesterase Modeling and Simulation.
Review in Biomolecules, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 45 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
45 citing papers in PubMed, 101 citations in OpenAlex.
- Effects of Organic Zinc Supplementation on Gut Microbiota and Health-Related Biomarkers in Healthy Adult Dogs.Biological trace element research · 2026Article
- Recent Advances in Pyrazole-Based Cholinesterase Inhibitors: Medicinal Chemistry Perspectives from 2020 to 2025.Pharmaceuticals (Basel, Switzerland) · 2026Review
- Biological and In Silico Evaluation of Novel Methoxyphenol-1,2,3-Triazole Hybrids as Multifunctional Anti-Alzheimer's and Anticancer Agents.Chemical biology & drug design · 2026Article
- Integrative In Silico and In Vivo Evidence of Quercetin as a Multitarget Neuroprotective Agent in Alzheimer's Disease.ACS omega · 2026Article
- Recent Advances of Azobenzene-Based Photoresponsive Molecular Switches for Protein-Targeted Photopharmacology.Molecules (Basel, Switzerland) · 2026Review
- Novel triphenylphosphonium-hydrazone salts: integrated experimental and computational insights into AChE inhibition and resistance-overcoming antimicrobial and antibiofilm potential.Naunyn-Schmiedeberg's archives of pharmacology · 2026Article
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- Six-membered N-heterocyclic alkaloids as ChE inhibitors in alzheimer's disease treatment.Metabolic brain disease · 2025Review
- Silodosin as a Novel Inhibitor of Acetylcholinesterase, Butyrylcholinesterase, and BETA-Secretase 1: In Vitro and In Silico Studies.ACS omega · 2025Article
- Acetylcholinesterase: Structure, dynamics, and interactions with organophosphorus compounds.Protein science : a publication of the Protein Society · 2025Review
- Design, Synthesis, and Biological Evaluation of Novel Multitarget 7-Alcoxyamino-3-(1,2,3-triazole)-coumarins as Potent Acetylcholinesterase Inhibitors.Pharmaceuticals (Basel, Switzerland) · 2025Article
- Associations of Butyrylcholinesterase Activity and Lipid-Related Indices with Obesity in Thai Children.International journal of environmental research and public health · 2025Article
- Light-Activated Pharmacological Tools for Exploring the Cholinergic System.Medicinal research reviews · 2025Review
- Effects of Nitro-Oxidative Stress on Biomolecules: Part 2-Reactive Molecular Dynamics Simulations.Biomolecules · 2025Review
- Synthesis, Biological Evaluation, and Molecular Docking Studies of Novel Coumarin-Triazole-Isatin Hybrids as Selective Butyrylcholinesterase Inhibitors.Molecules (Basel, Switzerland) · 2025Article
- Triple-Target Inhibition of Cholinesterase, Amyloid Aggregation, and GSK3β to Ameliorate Cognitive Deficits and Neuropathology in the Triple-Transgenic Mouse Model of Alzheimer's Disease.Neuroscience bulletin · 2025Article
- Mosquito mutations F290V and F331W expressed in acetylcholinesterase of the sand fly Phlebotomus papatasi (Scopoli): biochemical properties and inhibitor sensitivity.Parasites & vectors · 2025Article
- Evaluating Quinolines: Molecular Dynamics Approach to Assess Their Potential as Acetylcholinesterase Inhibitors for Alzheimer's Disease.Chemphyschem : a European journal of chemical physics and physical chemistry · 2025Article
- A nanocarrier containing carboxylic and histamine groups with dual action: acetylcholine hydrolysis and antidote atropine delivery.Beilstein journal of nanotechnology · 2025Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
5 authors at 1 institution in 1 country.
Funding
Abstract
The present article reviews published efforts to study acetylcholinesterase and butyrylcholinesterase structure and function using computer-based modeling and simulation techniques. Structures and models of both enzymes from various organisms, including rays, mice, and humans, are discussed to highlight key structural similarities in the active site gorges of the two enzymes, such as flexibility, binding site location, and function, as well as differences, such as gorge volume and binding site residue composition. Catalytic studies are also described, with an emphasis on the mechanism of acetylcholine hydrolysis by each enzyme and novel mutants that increase catalytic efficiency. The inhibitory activities of myriad compounds have been computationally assessed, primarily through Monte Carlo-based docking calculations and molecular dynamics simulations. Pharmaceutical compounds examined herein include FDA-approved therapeutics and their derivatives, as well as several other prescription drug derivatives. Cholinesterase interactions with both narcotics and organophosphate compounds are discussed, with the latter focusing primarily on molecular recognition studies of potential therapeutic value and on improving our understanding of the reactivation of cholinesterases that are bound to toxins. This review also explores the inhibitory properties of several other organic and biological moieties, as well as advancements in virtual screening methodologies with respect to these enzymes.
Indexed as
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What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.