Homology Modeling and Docking Studies of Japanese Encephalitis Virus Proteins Like Envelope Protein and NS1 Protein.
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Date
2015-04
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Abstract
Japanese Encephalitis (JE) is a vector- borne, viral zoonosis that may affect humans. The disease
periodically becomes endemic in areas such as northern India, parts of central and southern India. Japanese
Encephalitis virus belongs to the mostly vector-borne flaviviriade, which are single stranded RNA viruses. The
envelope glycoprotein of JE Viruses contain specific as well as cross relative, neutralizing epitopes. The objective of
this research to find out the best ligand molecule each for the two drug targeting protein present in the JEV. This will
be done by studying the complete structure of JEV drug targeting proteins and their interaction with their respective
ligand. The envelope protein and NS1 protein have been studied. The minimum energies were recorded after the
docking studies for all the inhibitors docked with the protein. After comparison of the minimum energies recorded,
the ligand with the least minimum docking energy has been considered as the best ligand. The entire study indicates
that the inhibitor Mycophenolate with minimum energy -5.00605kj/mol is the most effective against Envelope
protein. However in case of NS1 protein, the inhibitor Deoxynojirimycin with the minimum energy of -
6.75932kj/mol is found to be the most effective.
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Keywords
Envelope protein, NS1 protein, Molecular Docking, Japanese Encephalitis Virus, Homology modelling
Citation
Gupt Anil Kumar, Mishra Santosh Kumar, Kumar Priya Ranjan. Homology Modeling and Docking Studies of Japanese Encephalitis Virus Proteins Like Envelope Protein and NS1 Protein. International Journal of Applied Biology and Pharmaceutical Technology. 2015 Apr-June; 6(2): 126-131.