A multifunctional strategy using single products that interact simultaneously with many targets either directly or following metabolism has shown significant promise in drug discovery.  We have designed novel 1,4-naphthoquinone-based agents that have the potential to induce cancer cell death by a dual mechanism of action involving inhibition of overexpressed epidermal growth factor receptor (EGFR) implicated in the development and progression of non-small cell lung cancer (NSCLC) and bioreduction to DNA-damaging metabolites.   The quinone moieties in these agents have the potential to be metabolized by enzymatic reduction under hypoxic conditions by the enzyme DT-diaphorase (DTD)), a reductase overexpressed in NSCLC.  The design, molecular docking studies, multistep synthesis and biological evaluation of the target molecules will be presented.

Novel 1,4-naphthoquinone derivatives designed as multifunctional small molecules to target non-small cell lung cancer

243rd National Meeting (2012)

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