CoMFA and CoMSIA studies of 1,2-dihydropyridine derivatives as anticancer agents

Article abstract of DOI:10.2174/157340612800786598

Taking advantage of our in-house experimental data on 3-cyano-2-imino-1, 2-dihydropyridine and 3-cyano-2-oxo-1,2-dihydropyridine derivatives as inhibitors of the growth of the human HT-29 colon adenocarcinoma tumor cell line, we have established a highly significant CoMFA and CoMSIA models (q ² _cv=0.70/0.639). The models were investigated to assure their stability and predictivity (r² _pred= 0.65/0.61) and successfully applied to design two new potential cell growth inhibitory agents with IC₅₀s in the submicromolar range.