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

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.

journal_name

Bioorg Med Chem

journal_title

Bioorganic & medicinal chemistry

authors

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

doi

10.1016/j.bmc.2012.11.031

subject

Has Abstract

pub_date

2013-01-15 00:00:00

pages

388-94

issue

2

eissn

0968-0896

issn

1464-3391

pii

S0968-0896(12)00924-8

journal_volume

21

pub_type

杂志文章

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