Computational Insight into Protein Tyrosine Phosphatase 1B Inhibition: A Case Study of the Combined Ligand- and Structure-Based Approach

Figure 2

Chemical structures of representative isothiazolidinone derivatives (1–6), difluoromethylphosphonic acid derivatives (7-8), and thiophene-2-carboxylic acid derivatives of PTP1B inhibitors (9–16) considered as training set molecules for the pharmacophore model.