Ligand-Based Virtual Screening and Molecular Docking Studies to Identify the Critical Chemical Features of Potent Cathepsin D Inhibitors
Article first published online: 14 MAY 2012
© 2012 John Wiley & Sons A/S
Chemical Biology & Drug Design
Volume 80, Issue 1, pages 64–79, July 2012
How to Cite
Sakkiah, S., Thangapandian, S. and Lee, K. W. (2012), Ligand-Based Virtual Screening and Molecular Docking Studies to Identify the Critical Chemical Features of Potent Cathepsin D Inhibitors. Chemical Biology & Drug Design, 80: 64–79. doi: 10.1111/j.1747-0285.2012.01339.x
- Issue published online: 8 JUN 2012
- Article first published online: 14 MAY 2012
- Accepted manuscript online: 23 JAN 2012 06:40AM EST
- Received 8 November 2010, revised 22 December 2011 and accepted for publication 7 January 2012
Table S1. Actual and estimated activity of the training set molecules based on the pharmacophore model Hypo1.
Table S2. Validation of Hypo1 using Fischer’s randomization method.
Table S3. Hit molecules from scaffold database and its corresponding various score values
|CBDD_1339_sm_TableS1-S3.doc||162K||Supporting info item|
Please note: Wiley Blackwell is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.