Literature DB >> 22530888

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

Ismail Salama1, Mohamed A O Abdel-Fattah, Marwa S Hany, Shaimaa A El-Sharif, Mahmoud A M El-Naggar, Rasha M H Rashied, Gary A Piazza, Ashraf H Abadi.   

Abstract

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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Year:  2012        PMID： 22530888      PMCID： PMC4980841          DOI： 10.2174/157340612800786598

Source DB:  PubMed          Journal:  Med Chem        ISSN： 1573-4064            Impact factor:   2.745


  14 in total

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  1 in total

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  1 in total

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