Quantitative structure activity relationship of benzoxazinone derivatives as neuropeptide Y Y5 receptor antagonists

Quantitative structure activity relationship (QSAR) has been established for 30 benzoxazinone derivatives acting as neuropeptide Y Y5 receptor antagonists. The genetic algorithm and multiple linear regression were used to generate the relationship between biological activity and calculated descriptors. Model with good statistical qualities was developed using four descriptors from topological, thermodynamic, spatial and electrotopological class. The validation of the model was done by cross validation, randomization and external test set prediction.

Graphical abstractStatistical significant QSAR model has been developed for 30 benzoxazinone derivatives acting as neuropeptide Y5 antagonists. Genetic function approximation method was used for model development and the model was validated by leave one out cross validation, randomization and test set prediction.Figure optionsDownload full-size imageDownload as PowerPoint slide