AI Article Synopsis
- The study uses experimental data on specific chemical compounds to evaluate their effectiveness in inhibiting the growth of HT-29 colon cancer cells.
- The researchers created predictive models (CoMFA and CoMSIA) that showed strong predictive ability and stability.
- These models were then employed to design two new potential drugs that demonstrated low effective concentrations (IC50s in the submicromolar range) against tumor cell growth.
Article 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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| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4980841 | PMC |
| http://dx.doi.org/10.2174/157340612800786598 | DOI Listing |
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