ISABB Journal of Biotechnology and Bioinformatics
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Article Number - FC337E944861


Vol.2(1), pp. 1-5 , April 2012

ISSN: 2163-9758



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: sanjaymishra66@gmail.com






 Received: 10 September 2011  Accepted: 31 January 2012  Published: 30 April 2012

Copyright © 2012 Author(s) retain the copyright of this article.
This article is published under the terms of the Creative Commons Attribution License 4.0


 

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.


APA Shailesh, K., Abhishek, T., Sumit, G. & Sanjay, M. (2012). Computational studies on Ribavirin binding to RNA-dependent RNA polymerase, inducing Crimean-Congo hemorrhagic fever. ISABB Journal of Biotechnology and Bioinformatics, 2(1), 1-5.
Chicago Shailesh Kumar, Abhishek Tyagi, Sumit Govil and Sanjay Mishra. "Computational studies on Ribavirin binding to RNA-dependent RNA polymerase, inducing Crimean-Congo hemorrhagic fever." ISABB Journal of Biotechnology and Bioinformatics 2, no. 1 (2012): 1-5.
MLA Shailesh Kumar, et al. "Computational studies on Ribavirin binding to RNA-dependent RNA polymerase, inducing Crimean-Congo hemorrhagic fever." ISABB Journal of Biotechnology and Bioinformatics 2.1 (2012): 1-5.
   
DOI
URL http://academicjournals.org/journal/ISABB-JBB/article-abstract/FC337E944861

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