Design, synthesis and molecular docking of alpha,beta-unsaturated cyclohexanone analogous of curcumin as potent EGFR inhibitors with antiproliferative activity.

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Xu YY, Cao Y, Ma H, Li HQ, Ao GZ

Design, synthesis and molecular docking of alpha,beta-unsaturated cyclohexanone analogous of curcumin as potent EGFR inhibitors with antiproliferative activity.

Bioorg Med Chem. 2013 Jan 15;21(2):388-94. doi: 10.1016/j.bmc.2012.11.031. Epub 2012 Dec 2.

PubMed ID

23245570 [ View in PubMed

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Abstract

A type of novel alpha,beta-unsaturated cyclohexanone analogous, which designed based on the curcumin core structure, have been discovered as potential EGFR inhibitors. These compounds exhibit potent antiproliferative activity in two human tumor cell lines (Hep G2 and B16-F10). Among them, compounds I(3) and I(12) displayed the most potent EGFR inhibitory activity (IC(50) = 0.43 muM and 1.54 muM, respectively). Molecular docking of I(12) into EGFR TK active site was also performed. This inhibitor nicely fitting the active site might well explain its excellent inhibitory activity.

DrugBank Data that Cites this Article

Binding Properties

Drug	Target	Property	Measurement	pH	Temperature (°C)
Erlotinib	Epidermal growth factor receptor	IC 50 (nM)	30	N/A	N/A	Details