Table of Contents
Journal of Computational Medicine
Volume 2013, Article ID 637901, 9 pages
Research Article

Structure-Based Virtual Screening and Molecular Dynamic Simulation Studies to Identify Novel Cytochrome bc1 Inhibitors as Antimalarial Agents

Department of Pharmacoinformatics, National Institute of Pharmaceutical Education and Research (NIPER), Sector 67, S.A.S. Nagar, Punjab 160 062, India

Received 18 April 2013; Revised 19 June 2013; Accepted 23 June 2013

Academic Editor: Said Audi

Copyright © 2013 Rahul P. Gangwal 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

Supporting information provides the chemical structure and IC50 values of test set inhibitors used for the validation of developed pharmacophore hypothesis. The alignment of co-crystallized ligand (FMX) to pharmacophore hypotheses (Hypo1) was also provided.

  1. Supplementary Material