ArticleChemical research in toxicology2021
The Antiviral Drug Tilorone Is a Potent and Selective Inhibitor of Acetylcholinesterase.
Article in Chemical research in toxicology, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.
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Who cites it
17 citing papers in PubMed, 32 citations in OpenAlex.
- Uncertainty Quantification with Domain Classification Models for Acetylcholinesterase Inhibition.Journal of chemical information and modeling · 2026Article
- Review
- Applications of artificial intelligence in drug discovery for neurological diseases.Neurotherapeutics : the journal of the American Society for Experimental NeuroTherapeutics · 2025Review
- Structural Bioinformatics Applied to Acetylcholinesterase Enzyme Inhibition.International journal of molecular sciences · 2025Review
- Unraveling the Mysteries of Alzheimer's Disease Using Artificial Intelligence.Reviews on recent clinical trials · 2025Review
- Tilorone mitigates the propagation of α-synucleinopathy in a midbrain-like organoid model.Journal of translational medicine · 2024Article
- Unfolding the Antibacterial Activity and Acetylcholinesterase Inhibition Potential of Benzofuran-Triazole Hybrids: Synthesis, Antibacterial, Acetylcholinesterase Inhibition, and Molecular Docking Studies.Molecules (Basel, Switzerland) · 2023Article
- Methoxy-naphthyl-LinkedACS omega · 2023Article
- Transporter Inhibition Profile for the Antivirals Tilorone, Quinacrine and Pyronaridine.ACS omega · 2023Article
- Validation of Acetylcholinesterase Inhibition Machine Learning Models for Multiple Species.Chemical research in toxicology · 2023Article
- Preventing AI From Creating Biochemical Threats.Journal of chemical information and modeling · 2023Article
- The Commoditization of AI for Molecule Design.Artificial intelligence in the life sciences · 2022Article
- Multiple approaches to repurposing drugs for neuroblastoma.Bioorganic & medicinal chemistry · 2022Article
- MegaSyn: Integrating Generative Molecular Design, Automated Analog Designer, and Synthetic Viability Prediction.ACS omega · 2022Article
- The Road to Personalized Medicine in Alzheimer's Disease: The Use of Artificial Intelligence.Biomedicines · 2022Review
- Article
- Recent trends in artificial intelligence-driven identification and development of anti-neurodegenerative therapeutic agents.Molecular diversity · 2021Article
Corrections and comments
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Authors and funding
7 authors at 2 institutions in 1 country.
Funding
Abstract
Acetylcholinesterase (AChE) is an important drug target in neurological disorders like Alzheimer's disease, Lewy body dementia, and Parkinson's disease dementia as well as for other conditions like myasthenia gravis and anticholinergic poisoning. In this study, we have used a combination of high-throughput screening, machine learning, and docking to identify new inhibitors of this enzyme. Bayesian machine learning models were generated with literature data from ChEMBL for eel and human AChE inhibitors as well as butyrylcholinesterase inhibitors (BuChE) and compared with other machine learning methods. High-throughput screens for the eel AChE inhibitor model identified several molecules including tilorone, an antiviral drug that is well-established outside of the United States, as a newly identified nanomolar AChE inhibitor. We have described how tilorone inhibits both eel and human AChE with IC
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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.