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Updated: Apr 7, 2026
Hybrid PET/MRI Imaging of Alzheimer's Disease Based on 18F-AV-1451
Published on: April 18, 2025
Searching therapeutic agents for treatment of Alzheimer disease using the Monte Carlo method
Mariya A Toropova1, Andrey A Toropov2, Ivan Raška3
1Dipartimento di Scienze Farmaceutiche, Universita' degli Studi di Milano, Via L. Mangiagalli, 25, 20133 Milan, Italy.
Abstract:
Quantitative structure - activity relationships (QSARs) for the pIC50 (binding affinity) of gamma-secretase inhibitors can be constructed with the Monte Carlo method using CORAL software (http://www.insilico.eu/coral). The considerable influence of the presence of rings of various types with respect to the above endpoint has been detected. The mechanistic interpretation and the domain of applicability of the QSARs are discussed. Methods to select new potential gamma-secretase inhibitors are suggested.
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