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Computational and Mathematical Methods in Medicine
Volume 2015, Article ID 418767, 11 pages
Research Article

In Silico Design of Human IMPDH Inhibitors Using Pharmacophore Mapping and Molecular Docking Approaches

1Key Laboratory of Structure-Based Drug Design & Discovery of Ministry of Education, School of Pharmaceutical Engineering, Shenyang Pharmaceutical University, Shenyang 110016, China
2Institute of Medicinal Biotechnology, Chinese Academy of Medical Science and Peking Union Medical College, Beijing 10050, China

Received 20 November 2014; Revised 8 January 2015; Accepted 20 January 2015

Academic Editor: John Mitchell

Copyright © 2015 Rui-Juan Li 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

3D structures of all ten proposed inhibitors mapping onto the ligand-based pharmacophore model are shown in Figure S1. Close-up of superimposition between MPA and the two screened inhibitors are shown in Figure S2.

  1. Supplementary Material