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.
Publication types
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Research Support, Non-U.S. Gov't
MeSH terms
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Antineoplastic Agents / chemical synthesis
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Antineoplastic Agents / chemistry
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Antineoplastic Agents / pharmacology*
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Cell Proliferation / drug effects
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Dihydropyridines / chemical synthesis
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Dihydropyridines / chemistry
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Dihydropyridines / pharmacology*
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Dose-Response Relationship, Drug
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Drug Screening Assays, Antitumor
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Humans
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Molecular Structure
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Quantitative Structure-Activity Relationship*
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Stereoisomerism
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Tumor Cells, Cultured
Substances
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Antineoplastic Agents
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Dihydropyridines