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

Figure 9

(a) Refined pharmacophore hypothesis superimposed onto the PTP1B active site. (b) Refined pharmacophore hypothesis. The pharmacophore features were as follows: hydrogen bond acceptors (A1, A2, and A3), hydrogen bond donors (D), hydrophobic features (H), and aromatic ring (R). Distances between the features are expressed in Å, with a tolerance of ±0.8 Å.