Title

Authors

Affiliation

¹Vira Vigene research institute, Tehran, Iran; ²Department of Biology, Faculty of Science, Behbahan Khatam Alanbia University of Technology, Behbahan, Iran

Email

garshasbbiotech@gmail.com; *Corresponding author

Article Type

Hypothesis

Date

Received March 24, 2015; Accepted March 26, 2015; Published May 28, 2015

Ebola virus is a member of Filoviridae and cause severe human disease with 90 percent mortality. The life cycle of Ebola contains an assembly stage which is mediated by VP40 proteins. VP40 subunits oligomerize and form ring-structures which are either octamers or hexamers. Prevention of VP40 matrix protein assembly prevents virus particle formation as well as virus budding. In the present study we simulated the biological condition for a single VP40 subunit. Then a library containing 120.000 drugs like chemicals was used as the virtual screening database. Top 10 successive hits were then analyzed regarding absorption, distribution, metabolism, and excretion properties. Moreover probable accessorial human protein targets and toxicity properties of successive hits were analyzed by in silico tools. We found 4 chemicals that could bind VP40 subunits in a manner that by making an interfering steric condense prevents matrix protein oligomerization. The pharmacokinetic and toxicity studies also validated the potential of 4 finlay successive hits to be considered as a new anti-Ebola drugs.

Keywords

VP40, Ebola Virus, Molecular docking, AutoDock, Virtual screening

Citation

Abazari et al. Bioinformation 11(5): 243-247 (2015)
 

Edited by

P Kangueane

ISSN

0973-2063

Publisher

Biomedical Informatics

License

This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.