A novel range based QSAR study of human neuropeptide Y (NPY) Y5 receptor inhibitors

A conventional QSAR study has been carried out using thermodynamic and other descriptors, on a set of arylsulfonamidomethylcyclohexyl derivatives as antagonists of potential obesity drug target human neuropeptide Y Y5 receptor. In addition, a novel range based method was applied to obtain a QSAR model so that the information contained in the compounds for which an approximate value instead of exact value of inhibitory activity was available could be included in the model. Analysis of models suggests that range based model is better in screening biologically active compounds from chemical library. The conventional model is able to predict activity accurately only for active compounds whereas the range based method is better in discriminating active and inactive compounds.

Quantitative structure activity relationship of a set of neuropeptide Y Y5 receptor antagonist arylsulfonamidomethylcyclohexyl derivatives has been carried out. Conventional method as well as a new range based method is tested for the development of QSAR model. Predictability of the new model was found to be better than the conventional model.Figure optionsDownload as PowerPoint slide