Molecular docking experiments of 3D QSAR pharmacophore modeling. Compound 1, the most active compound in the training set is shown in blue color whereas HTS05096 and AW00695 are shown in green and red colors, respectively. Molecular overlay of all the three compounds is shown at lower right figure. Hydrogen bond interactions are shown in black dotted lines.
John et al. BMC Bioinformatics 2011 12(Suppl 14):S4 doi:10.1186/1471-2105-12-S14-S4