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Because glycogen synthase kinase-3 (GSK-3) activity is linked to various human diseases, it has been targeted in new drug development. Flavonoids, including luteolin, apigenin, and quercetin, inhibit GSK-3β; however, the relationships between their structural properties and inhibitory effects are unclear. We measured the inhibitory effects of 34 flavonoid derivatives on GSK-3β and calculated hologram quantitative structure–activity relationships to provide information on pharmacophores for designing novel compounds with better activities. The in vitro binding effect of flavonoids was confirmed using Western blotting for myricetin, which showed the best inhibitory activity, and the binding mode between myricetin and GSK-3β was elucidated using in silico docking.
Jung et al. (Thu,) studied this question.
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