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BioMed Research International
Volume 2013 (2013), Article ID 306081, 15 pages
Research Article

Pharmacophore Modeling and Docking Studies on Some Nonpeptide-Based Caspase-3 Inhibitors

1Pharmaceutical Chemistry Research Laboratory, Department of Pharmaceutical Sciences, Dr. Harisingh Gour University, Sagar, Madhya Pradesh 470003, India
2Department of Pharmaceutical Sciences, Birla Institute of Technology, Mesra, Ranchi, Jharkhand 835 215, India

Received 26 April 2013; Revised 23 July 2013; Accepted 23 July 2013

Academic Editor: Gjumrakch Aliev

Copyright © 2013 Simant Sharma 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

The interactions of both compounds (49 and 58) with surrounding amino acids were also analyzed by MOE molecular modeling software to provide clear view of π-π stacking between aromatic substituent at position 2 and aromatic ring of Tyr 204. This view is clear from the green line as shown in Figure S1 and Figure S2.

  1. Supplementary Material