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Advances in Bioinformatics
Volume 2014, Article ID 812148, 11 pages
http://dx.doi.org/10.1155/2014/812148
Research Article

Ligand Based Pharmacophore Modeling and Virtual Screening Studies to Design Novel HDAC2 Inhibitors

Department of Chemistry, Sathyabama University, Jeppiaar Nagar, Chennai 600119, India

Received 11 July 2014; Revised 8 October 2014; Accepted 22 October 2014; Published 26 November 2014

Academic Editor: Gilbert Deleage

Copyright © 2014 Naresh Kandakatla and Geetha Ramakrishnan. 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

Supplementary figures 1 and 2 provides the chemical structures of training and test set compounds, Supplementary Table 1 provide the randomization test results, Supplementary Table 2-4 provides the docking score, H-bond interactions and length, amino acid residues of Entinostat and 20 lead compounds on HDAC2 receptor and Supplementary Table 5-6 provides the docking score, H-bond interactions and length, amino acid residues of Entinostat and 8 lead compounds on HDAC and HDAC8 receptor.

  1. Supplementary Material