CoMFA and CoMSIA studies of 1,2-dihydropyridine derivatives as anticancer agents.
نویسندگان
چکیده
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 (q2cv=0.70/0.639). The models were investigated to assure their stability and predictivity (r2pred=0.65/0.61) and successfully applied to design two new potential cell growth inhibitory agents with IC50s in the submicromolar range.
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ورودعنوان ژورنال:
- Medicinal chemistry (Shariqah (United Arab Emirates))
دوره 8 3 شماره
صفحات -
تاریخ انتشار 2012