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Updated: Aug 9, 2026
Radiochemical Assessment of Glycogen Synthase Enzyme Activity in Animal Tissue
Published on: October 24, 2025
QSAR modeling of the inhibition of glycogen synthase kinase-3
Alan R Katritzky1, Liliana M Pacureanu, Dimitar A Dobchev
1Center for Heterocyclic Compounds, Department of Chemistry, University of Florida, Gainesville, FL 32611, USA. katritzky@chem.ufl.edu
Abstract:
Quantitative structure-activity relationship (QSAR) models of the biological activity (pIC50) of 277 inhibitors of Glycogen Synthase Kinase-3 (GSK-3) are developed using geometrical, topological, quantum mechanical, and electronic descriptors calculated by CODESSA PRO. The linear (multilinear regression) and nonlinear (artificial neural network) models obtained link the structures to their reported activity pIC50. The results are discussed in the light of the main factors that influence the inhibitory activity of the GSK-3 enzyme.
