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E-Journal of Chemistry
Volume 7, Issue 1, Pages 21-24

A Computational Approach towards the Development of Newer Anticancer Agents

Javed I. Sheikh, H. D. Juneja, and V. N. Ingle

Organic Chemistry Research Laboratory, Department of Chemistry, RTM Nagpur University, Nagpur-440 033, India

Received 10 January 2009; Accepted 5 March 2009

Copyright © 2010 Hindawi Publishing Corporation. 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.


In silico molecular docking analyses of the novel 1-(2', 4'-dihydroxy-5'-chlorophenyl)-3-aryl-propane-1, 3-diones were performed in the active sites of enzyme cytochrome P450 reductase to obtain new anticancer agents computationally. 1-(2', 4'-dihydroxy-5'-chlorophenyl)-3-(4"-methoxy-phenyl)-propane-1, 3-dione (3f) was found to have maximum affinity for the active sites of enzyme.