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BioMed Research International
Volume 2014, Article ID 979606, 12 pages
Research Article

Development of Dual Inhibitors against Alzheimer’s Disease Using Fragment-Based QSAR and Molecular Docking

1Apaji Institute of Mathematics & Applied Computer Technology, Banasthali University, Tonk, Rajasthan 304022, India
2School of Biotechnology, Jawaharlal Nehru University, New Delhi 110067, India
3Department of Biochemistry, University of Kashmir, Srinagar 190006, India

Received 17 December 2013; Revised 27 March 2014; Accepted 27 March 2014; Published 12 June 2014

Academic Editor: Jason E. Mcdermott

Copyright © 2014 Manisha Goyal 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

Supplementary Table 1: Chemical structure of the molecules used to build and validate the GQSAR model along with their reported pIC50 values. There were 15 compounds in the training set and 5 compounds in the test set.

Supplementary Table 2: Actual and predicted pIC50 value along with the values of calculated descriptors for each molecule of the dataset.

  1. Supplementary Materials