ArticleRSC advances2025
Discovery of novel acetylcholinesterase inhibitors through AI-powered structure prediction and high-performance computing-enhanced virtual screening.
Article in RSC advances, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
What it found
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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.
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Who cites it
6 citing papers in PubMed.
- Artificial intelligence and ultra-high performance computing methods and experiments for drug discovery: virtual screening, deep learning, molecular dynamics simulations, ADMET modelling, and experimental validation.Molecular biomedicine · 2026Review
- Generating multimillion chemical space based on the Ugi four-center three-component reaction with oxocarboxylic acids.Molecular diversity · 2026Article
- Article
- Formulation, development and characterization of fosfomycin tromethamine pessaries for the treatment of vaginal infections.Scientific reports · 2025Article
- Acetylcholinesterase as a Multifunctional Target in Amyloid-Driven Neurodegeneration: From Dual-Site Inhibitors to Anti-Agregation Strategies.International journal of molecular sciences · 2025Review
- Utilizing ADMET Analysis and Molecular Docking to Elucidate the Neuroprotective Mechanisms of a Cannabis-Containing Herbal Remedy (Suk-Saiyasna) in Inhibiting Acetylcholinesterase.International journal of molecular sciences · 2025Article
Corrections and comments
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Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Virtual screening (VS) methodologies have become key in the drug discovery process but are also applicable to other fields including catalysis, material design, and, more recently, insecticide solutions. Indeed, the search for effective pest control agents is a critical industrial objective, driven by the need to meet stringent regulations and address public health concerns. Cockroaches, known vectors of numerous diseases, represent a major challenge due to the toxicity of existing control measures to humans. In this article, we leverage an Artificial Intelligence (AI)-based screening of the Drug Bank (DB) database to identify novel acetylcholinesterase (AChE) inhibitors, a previously uncharacterized target in the American cockroach (
Identifiers
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.