QSAR studies on pyrazole-4-carboxamide derivatives as Aurora A kinase inhibitors

Cancer is a cellular disease characterized by the progressive, persistent, abnormal, purposeless, and uncontrolled proliferation of tissues. 2D-QSAR was performed on a series of N,1,3-triphenyl-1H-pyrazole-4-carboxamides as anticancer agents to gain insights into the structural determinants and their structure–activity relationship. The 2D-QSAR model using 20 molecules in the training set gave an r2 value of 0.8059 and a pred_r2 value of 0.7861. In models, it is shown that bulky electron-withdrawing substituents at the R1 and R2 position of the chain are favoured for inhibitory activity. Hence the model proposed in this work provides important structural insights into designing novel pyrazole-4-carboxamide derivatives with specific Aurora A kinase inhibition.