ArticleJournal of computer-aided molecular design2019
Discovery of new multifunctional selective acetylcholinesterase inhibitors: structure-based virtual screening and biological evaluation.
Article in Journal of computer-aided molecular design, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
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Who cites it
13 citing papers in PubMed, 36 citations in OpenAlex.
- Design, Synthesis,ACS omega · 2026Article
- Xeniaphyllane-Type Diterpenoids from the Soft CoralJournal of natural products · 2026Article
- Molecular docking-based design of novel tricyclic tetrahydropyridothienopyrimidinone derivatives as AChE/MAO-B dual inhibitors.Molecular diversity · 2026Article
- Acetylcholinesterase as a Multifunctional Target in Amyloid-Driven Neurodegeneration: From Dual-Site Inhibitors to Anti-Agregation Strategies.International journal of molecular sciences · 2025Review
- Applications of artificial intelligence in drug discovery for neurological diseases.Neurotherapeutics : the journal of the American Society for Experimental NeuroTherapeutics · 2025Review
- Searching for potential acetylcholinesterase inhibitors: a combined approach of multi-step similarity search, machine learning and molecular dynamics simulations.Royal Society open science · 2024Article
- Methoxy-naphthyl-LinkedACS omega · 2023Article
- Validation of Acetylcholinesterase Inhibition Machine Learning Models for Multiple Species.Chemical research in toxicology · 2023Article
- Natural Inhibitors of Cholinesterases: Chemistry, Structure-Activity and Methods of Their Analysis.International journal of molecular sciences · 2023Review
- Identifying Possible AChE Inhibitors from Drug-like Molecules via Machine Learning and Experimental Studies.ACS omega · 2022Article
- The Antiviral Drug Tilorone Is a Potent and Selective Inhibitor of Acetylcholinesterase.Chemical research in toxicology · 2021Article
- Article
- Discovery of New Selective Butyrylcholinesterase (BChE) Inhibitors with Anti-Aβ Aggregation Activity: Structure-Based Virtual Screening, Hit Optimization and Biological Evaluation.Molecules (Basel, Switzerland) · 2019Article
Corrections and comments
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Authors and funding
7 authors at 2 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Although the mechanism of Alzheimer's disease (AD) is still not fully understood, the development of multifunctional AChE inhibitors remains a research focus for AD treatment. In this study, 48 AChE candidate inhibitors were picked out from SPECS database through a pharmacophore- and molecular docking-based virtual screening. The biological evaluation results indicated that four compounds 7, 29, 41 and 48 with different scaffolds exhibited potent and selective AChE inhibitory activity, with the best 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.