Synthesis of protein tyrosine phosphatase 1B inhibitors: Model validation and docking studies

The designed and synthesized 2-(4-methoxyphenyl) ethyl] acetamide derivatives (3a, 3b and 3c) were evaluated for their PTP1B inhibitory activity where they showed IC50 values 69 μM, 87 μM and 71 μM, respectively. These results correlated well with the docking studies and in vivo screening of the compounds for their antidiabetic activity in SLM and STZ models.

Structure of the most potent compound (3a) and its binding pose (in red colour) into the active site gorge of PTP-1B enzyme as compared to the X-ray crystal based binding pose of the control (PDB-ID: 2F70).Figure optionsDownload as PowerPoint slide