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OJBTM
Online Journal of Bioinformatics ©
Volume 12(2):304-313, 2011.
Molecular docking ribavirin with RNA-dependent RNA polymerase crimean-congo hemorrhagic fever virus.
Sitansu Kumar Verma*, Shivam Pratap Singh Yadav, Rhishika Singh, Ajay Kumar
Department of Biotechnology, Institute of Biomedical Education and Research, Mangalayatan University, Aligarh, India.
ABSTRACT
Kumar Verma S, Singh Yadav SP, Singh R, Kumar A, Molecular
docking ribavirin with RNA-dependent RNA polymerase crimean-congo
hemorrhagic fever virus, Onl J Bioinform.,
12(2):304-313, 2011. Crimean-Congo
hemorrhagic fever is a widespread tick borne viral disease affecting animals and humans. The
viral membrane has RNA-dependent RNA polymerase (RDRP) which catalyses RNA
synthesis in target cells. Inhibiting RDRP may thus prevent virus replication
in host cells. The amino acid sequence of RDRP (Accession No: ACM78472.1) CCHF
virus was retrieved from NCBI and a 3D model was built with Modeller9v8. The
templates for RDRP protein were downloaded from PDB ID:3PHU.
Homologous templates of RDRP exhibited sequence identity of 93.44% with the
target. The RDRP model was then optimized with Modeller,
validated through PROCHECK and submitted to PDB ID: PM0077454. The RDRP model
predicted with AutoDock3.0.5., a ligand binding site
for docking against the antiviral drug Ribavirin. The docked complexes were
validated and enumerated using AutoDock to find
suitable inhibitors.
Key words: Crimean-Congo
hemorrhagic fever virus,
RNA-dependent RNA Polymerase, Homology
modeling, Ribavirin, Molecular docking.
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