Structure-based development of novel triazoles and related thiazolotriazoles as anticancer agents and Cdc25A/B phosphatase inhibitors. Synthesis, in vitro biological evaluation, molecular docking and in silico ADME-T studies

3D alignment of an energy-minimized conformer of 18 (yellow) and the reported ligand I (green) with Cdc25B phosphatase (1CWR) active site.212