ISABB Journal of
Biotechnology and Bioinformatics

OFFICIAL PUBLICATION OF THE INTERNATIONAL SOCIETY OF AFRICAN BIOTECHNOLOGISTS AND BIOSCIENTISTS
  • Language: English
  • ISSN: 2163-9758
  • DOI: 10.5897/ISABB-JBB
  • Start Year: 2011
  • Published Articles: 7

Computational studies on Ribavirin binding to RNA-dependent RNA polymerase, inducing Crimean-Congo hemorrhagic fever

Shailesh Kumar1, Abhishek Tyagi2, Sumit Govil1 and Sanjay Mishra2*
  1School of Life Sciences, Jaipur National University, Jaipur 302 025, Rajasthan, India. 2School of Biotechnology, IFTM University, NH-24, Delhi Road, Moradabad 244 001, U.P., India.
Email: [email protected]

  • Article Number - FC337E944861
  • Vol.2(1), pp. 1-5, April 2012
  •  Received: 10 September 2011
  •  Accepted: 31 January 2012
  •  Published: 30 April 2012

Abstract

 

The Crimean-Congo hemorrhagic fever is a viral disease, widespread amongst domestic as well as wild animals, and probably may affects humans too. This virus belonging to Bunyaviridae family contains viral RNA-dependent RNA polymerase catalyzing the biosynthesis of the RNA strands. As a consequence of inhibition of a target enzyme protein, namely, RNA-dependent RNA polymerase there is a probability of the prevention of virus replication in the host cells. In the present investigation, RNA-dependent RNA polymerase sequence was retrieved from NCBI followed by its domain analysis to find out the effective part of the sequence later on 3D structure of the domain modeling by comparative homology modeling approach, including a thorough screening of the homologous sequences to domain by sequence alignment technique. Template coordinates are then used as outline for modeling the domain structure. The computed models of RNA-dependent RNA polymerase domain was validated and then optimized by employing Ramachandran plot. Homology models of RNA-dependent RNA polymerase domain was finally taken into consideration to focus on the prediction of the specific ligand binding site by docking against antiviral drug Ribavirin, with an aid of AutoDock4.2. The results obtained from the present studies provide new insights into the broad screening of certain putative marker inhibitors of the RNA-dependent RNA polymerase concomitant with their application in the relevant drug designing.

 

Key words: Crimean-Congo hemorrhagic fever virus, homology modeling, Ribavirin, RNA-dependent RNA polymerase.