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Rapid discovery of a selective butyrylcholinesterase inhibitor using structure-based virtual screening

https://doi.org/10.1016/j.bmcl.2020.127609

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1001/archneur.58.3.516openalex-snapshot

Cholinesterases and Cholinesterase Inhibitors

inferredcites →https://doi.org/10.1001/jama.1994.03510370044030openalex-snapshot

Hepatotoxic Effects of Tacrine Administration in Patients With Alzheimer's Disease

inferredcites →https://doi.org/10.1016/0959-440x(92)90207-nopenalex-snapshot

Acetylcholinesterase: structure and use as a model for specific cation—protein interactions

inferredcites →https://doi.org/10.1016/0960-9822(92)90176-bopenalex-snapshot

Acetylcholinesterase: Structure and use as a model for specific cation-protein interactions

inferredcites →https://doi.org/10.1016/j.compbiolchem.2018.08.003openalex-snapshot

Quinoline containing chalcone derivatives as cholinesterase inhibitors and their in silico modeling studies

inferredcites →https://doi.org/10.1016/j.ejps.2009.06.009openalex-snapshot

P-glycoprotein deficient mouse in situ blood–brain barrier permeability and its prediction using an in combo PAMPA model

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Differences in the pattern of hippocampal neuronal loss in normal ageing and Alzheimer's disease

inferredcites →https://doi.org/10.1021/acs.jcim.5b00559openalex-snapshot

ZINC 15 – Ligand Discovery for Everyone

inferredcites →https://doi.org/10.1021/acs.jmedchem.6b00356openalex-snapshot

Discovery and Structure–Activity Relationships of a Highly Selective Butyrylcholinesterase Inhibitor by Structure-Based Virtual Screening

inferredcites →https://doi.org/10.1021/jm010533yopenalex-snapshot

A Common Mechanism Underlying Promiscuous Inhibitors from Virtual and High-Throughput Screening

inferredcites →https://doi.org/10.1021/jm0306430openalex-snapshot

Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy

inferredcites →https://doi.org/10.1021/jm300871xopenalex-snapshot

Structures of Human Acetylcholinesterase in Complex with Pharmacologically Important Ligands

inferredcites →https://doi.org/10.1021/jm501195eopenalex-snapshot

Discovery, Biological Evaluation, and Crystal Structure of a Novel Nanomolar Selective Butyrylcholinesterase Inhibitor

inferredcites →https://doi.org/10.1021/jm900859qopenalex-snapshot

Pyrano[3,2-c]quinoline−6-Chlorotacrine Hybrids as a Novel Family of Acetylcholinesterase- and β-Amyloid-Directed Anti-Alzheimer Compounds

inferredcites →https://doi.org/10.1021/jm901137jopenalex-snapshot

New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays

inferredcites →https://doi.org/10.1038/s42004-019-0133-4openalex-snapshot

Rivastigmine and metabolite analogues with putative Alzheimer’s disease-modifying properties in a Caenorhabditis elegans model

inferredcites →https://doi.org/10.1097/01.wad.0000127495.10774.a4openalex-snapshot

Long-Term Treatment of Alzheimer Disease

inferredcites →https://doi.org/10.1111/j.1365-2990.1978.tb00545.xopenalex-snapshot

CHANGES IN BRAIN CHOLINESTERASES IN SENILE DEMENTIA OF ALZHEIMER TYPE

inferredcites →https://doi.org/10.1111/j.1471-4159.2006.04347.xopenalex-snapshot

Excessive hippocampal acetylcholine levels in acetylcholinesterase‐deficient mice are moderated by butyrylcholinesterase activity

inferredcites →https://doi.org/10.1111/j.1748-1716.1958.tb01537.xopenalex-snapshot

Cholinesterase Content of Certain Regions of the Spinal Cord as Judged by Histochemical and Cartesian Diver Technique

inferredcites →https://doi.org/10.1126/science.1678899openalex-snapshot

Atomic Structure of Acetylcholinesterase from Torpedo californica : A Prototypic Acetylcholine-Binding Protein

inferredcites →https://doi.org/10.1126/science.7058341openalex-snapshot

Alzheimer's Disease and Senile Dementia: Loss of Neurons in the Basal Forebrain

inferredcites →https://doi.org/10.1136/bmj.331.7512.321openalex-snapshot

Cholinesterase inhibitors for patients with Alzheimer's disease: systematic review of randomised clinical trials

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Carltonine-Derived Compounds for Targeted Butyrylcholinesterase Inhibition

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Enzyme Inhibitory Activities and RP‐HPLC Analysis of Geranium and Erodium Species

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Inhibitory Effects of Alkaloids Against Enzymes Linked to Neurodegenerative Diseases

inferred← citeshttps://doi.org/10.1007/s11696-025-04532-4openalex-snapshot

Recent advances in the design of indole and thiazole-based cholinesterase inhibitors: trends and future directions

inferred← citeshttps://doi.org/10.1016/j.ejmech.2021.113735openalex-snapshot

Novel cannabidiol−carbamate hybrids as selective BuChE inhibitors: Docking-based fragment reassembly for the development of potential therapeutic agents against Alzheimer's disease

inferred← citeshttps://doi.org/10.1016/j.ijbiomac.2026.152221openalex-snapshot

Discovery and mechanistic exploration of natural butyrylcholinesterase inhibitors via integrated virtual screening and multidisciplinary approaches

inferred← citeshttps://doi.org/10.1021/acs.jcim.4c00397openalex-snapshot

Sequential Contrastive and Deep Learning Models to Identify Selective Butyrylcholinesterase Inhibitors

inferred← citeshttps://doi.org/10.1039/d4md00060aopenalex-snapshot

Carltonine-derived compounds for targeted butyrylcholinesterase inhibition

inferred← citeshttps://doi.org/10.1080/14756366.2022.2103553openalex-snapshot

Fluorosulfate-containing pyrazole heterocycles as selective BuChE inhibitors: structure-activity relationship and biological evaluation for the treatment of Alzheimer’s disease

inferred← citeshttps://doi.org/10.3390/molecules26041107openalex-snapshot

Essential Oils as a Potential Neuroprotective Remedy for Age-Related Neurodegenerative Diseases: A Review

inferred← citeshttps://doi.org/10.3390/molecules30214201openalex-snapshot

The Selectivity of Butyrylcholinesterase Inhibitors Revisited

inferred← citeshttps://doi.org/10.4155/fmc-2021-0018openalex-snapshot

Synthesis, Molecular Modeling and Cholinesterase Inhibitory Effects of 2-Indolinone-Based Hydrazinecarbothioamides

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