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International Journal of Medicinal Chemistry
Volume 2012 (2012), Article ID 316972, 8 pages
Research Article

In Silico Inhibition Studies of Jun-Fos-DNA Complex Formation by Curcumin Derivatives

1Computational Biology Laboratory, Department of Biotechnology, Indian Institute of Technology Guwahati, Assam, Guwahati 781039, India
2Biotech Hub, Centre for the Environment, Indian Institute of Technology Guwahati, Assam, Guwahati 781039, India

Received 28 August 2012; Revised 15 November 2012; Accepted 15 November 2012

Academic Editor: Armando Rossello

Copyright © 2012 Anil Kumar and Utpal Bora. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


Activator protein-1 (AP1) is a transcription factor that consists of the Jun and Fos family proteins. It regulates gene expression in response to a variety of stimuli and controls cellular processes including proliferation, transformation, inflammation, and innate immune responses. AP1 binds specifically to 12-O-tetradecanoylphorbol-13-acetate (TPA) responsive element 5′-TGAG/CTCA-3′ (AP1 site). It has been found constitutively active in breast, ovarian, cervical, and lung cancers. Numerous studies have shown that inhibition of AP1 could be a promising strategy for cancer therapeutic applications. The present in silico study provides insights into the inhibition of Jun-Fos-DNA complex formation by curcumin derivatives. These derivatives interact with the amino acid residues like Arg155 and Arg158 which play a key role in binding of Jun-Fos complex to DNA (AP1 site). Ala151, Ala275, Leu283, and Ile286 were the residues present at binding site which could contribute to hydrophobic contacts with inhibitor molecules. Curcumin sulphate was predicted to be the most potent inhibitor amongst all the natural curcumin derivatives docked.