Abstract
A type of novel α,β-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 μM and 1.54 μM, 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.
Copyright © 2012 Elsevier Ltd. All rights reserved.
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 / toxicity
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Binding Sites
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Catalytic Domain
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Cell Line, Tumor
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Cell Proliferation / drug effects
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Curcumin / analogs & derivatives*
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Curcumin / chemical synthesis
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Curcumin / toxicity
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Cyclohexanones / chemistry*
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Drug Design*
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ErbB Receptors / antagonists & inhibitors*
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ErbB Receptors / metabolism
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Hep G2 Cells
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Humans
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Molecular Docking Simulation
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Protein Kinase Inhibitors / chemical synthesis*
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Protein Kinase Inhibitors / chemistry
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Protein Kinase Inhibitors / toxicity
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Structure-Activity Relationship
Substances
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Antineoplastic Agents
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Cyclohexanones
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Protein Kinase Inhibitors
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cyclohexanone
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ErbB Receptors
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Curcumin