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BioMed Research International
Volume 2013 (2013), Article ID 239354, 14 pages
http://dx.doi.org/10.1155/2013/239354
Research Article

Synthesis, Characterisation, and In Vitro Anticancer Activity of Curcumin Analogues Bearing Pyrazole/Pyrimidine Ring Targeting EGFR Tyrosine Kinase

1Department of Pharmaceutical Chemistry, Maharishi Arvind College of Pharmacy, Ambabari, Jaipur, Rajasthan 302 023, India
2Department of Pharmaceutical Chemistry, Alwar Pharmacy College, Alwar, Rajasthan 301 030, India
3Department of Pharmaceutical Chemistry, Birla Institute of Technology, Mesra, Ranchi, Jharkhand 835 215, India

Received 24 April 2013; Revised 20 July 2013; Accepted 23 July 2013

Academic Editor: Vickram Ramkumar

Copyright © 2013 Mohamed Jawed Ahsan et al. 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.

Supplementary Material

All the structures were drawn by using Maestro. Their structures were minimized using Macromodel minimization panel using the OPLS-2005 force field and GB/SA water model with a constant dielectric of 1.0 Polak-Ribiere first derivative, conjugate gradient minimization was employed with maximum iterations of 1000 and convergence threshold of a gradient to < 0.05 kJ/Å-mol. LigPrep2.0 module of Schrodinger was used to generate possible ionization states at target pH 7.0±2.0. All possible tautomeric states at this pH were also generated using the tautomerizer module of LigPrep2.0. The resulting structures were saved in *.mae format for further experiments.

  1. Supplementary Material