3D-QSAR study on lipophilic antifolates quinazolines

In the study of antifolate quinazoline compounds using the method of CoMFA (comparative of molecular held analysis), the introduction of the physical- chemical constants correlated to the structures of the compounds has been t ried for setting up the CoMFA model. The inhibitory activities of four new compounds have been predicted by the model. re observation of the practical activities of two compounds among them shows that the observed activities are close to the predicted ones. The reliability of the obtained CoMFA mode l has been preliminarily tested and verified.