MCH1R antagonists have been used to treat several diseases, such as obesity, depression and anxiety. In this
study, we have performed several pharmacophore-based CoMFA studies for a series of 2,4,6 substituted quinolines as
potent antagonists of MCH1R. Significant statistical results were obtained (q2 = 0.78, r2 = 0.99), indicating the high
internal consistency of the 3D model generated, as well as its predictive power for untested compounds. The 3D model
was externally validated employing a test set and the predicted biological values showed good agreement with
experimental results. Important insights on the molecular interactions between the studied ligands and the MCH1R
receptor, inferred from the 3D contour maps, were obtained and can be useful for the design of new structurally related
analogs with improved binding affinity.