A flavonoid gossypin binds to cyclin-dependent kinase 2

Flavonoids have low toxicity and mild activity. In order to find flavonoids showing cyclin-dependent kinase 2 (CDK2) binding effects, 347 flavonoid derivatives were docked into the crystal structure of the CDK2. The docking study showed that gossypin has a good conformational match with CDK2, which was confirmed by the binding affinity assay using NMR experiments.