Figure 3.

Pharmacophore model for acidic mPGES-1 inhibitors. Chemical features are color-coded: hydrophobic (cyan), aromatic ring (gold), negatively ionizable (blue), spatial shape restriction (grey). The screening model M1 required a compound to map all of these features to be considered a virtual hit. During the screening with M2, one hydrophobic feature or the aromatic ring feature was allowed to be omitted. The mPGES-1 inhibitors found in this study (compound 2 in green, 8 in blue, and 9 in grey) all map two of the hydrophobic features with their alkyl chains.