Docking Studies of Adenosine Analogues with NS5 Methyltransferase of Yellow Fever Virus |
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Authors: | Kh Dhanachandra Singh Palani Kirubakaran S Manikandaprabhu S Nagamani P Srinivasan M Karthikeyan |
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Institution: | (1) Department of Bioinformatics, Alagappa University, Karaikudi, Tamilnadu, 630 003, India; |
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Abstract: | Yellow fever virus (YFV) is caused by single stranded positive RNA virus called Flavivirus. Till now no specific antiviral agents are available for the treatment of YFV, and despite a commercial YFV vaccine, there
are still approximately 30,000 deaths worldwide each year and cases have been increasing in the last 20 years. Here, the effects
of adenosine analogues and commercially available adenosine derivative drugs on NS5 methyltransferase of YFV have been performed
by the comparative docking study. Based on the docking score, the glide energy and the number of interactions of the adenosine
analogues with the Pubchem ID 13792 and 1077 showed the better scoring function than the best ranked commercially available
adenosine analogue derived antiviral drug Cc3ado. From the docking result it reveals that these adenosine analogues can bind
to the active site of NS5 methyltransferase protein and inhibit the viral replication. |
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Keywords: | NS5 Adenosine analogue Yellow fever virus Flavivirus |
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