FIGURE 7.

Ligand-based pharmacophore of TRPV1 activation reveals three key features. A, three-dimensional alignment of the active compounds (yellow). Three-point pharmacophore query modeled on the bioactive conformation of active compounds: the anionic group with two hydrophobic features. B, LPA 18:1 shown as representative of the ability of unsaturated compounds to adopt an active conformation. C, superimposition of LPA 18:1 (yellow) and LPA 18:0 (stick) reveals that LPA 18:1 occupies the three pharmacophore features, whereas LPA 18:0 is unable to extend to the critical hydrophobic intersection. D, flexible alignment of LPA 18:1 (yellow) and BrP-LPA (stick) indicates that a similar low energy conformation can be adopted, although the two compounds curl in opposite ways.