Discovery of anti-Ebola drugs: a computational drug repositioning case study

@inproceedings{Kharkar2016DiscoveryOA,
  title={Discovery of anti-Ebola drugs: a computational drug repositioning case study},
  author={P. S. Kharkar and Ponnadurai Ramasami and Yee Siew Choong and Lydia Rhyman and S. B. Warrier},
  year={2016}
}
Computational drug repositioning has complemented and guided the experimental drug repositioning assignments in the recent past. Structure- and ligand-based strategies have been tried for the generation of novel repositioning ideas. In the present computational work, an attempt has been made to reposition a set of approved/existing drugs as novel anti-Ebola agents, targeting VP35 viral protein. One of the crystal structure ligands bound to VP35 protein was used as a query for the initial shape… CONTINUE READING