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OJBTM
Online Journal of Bioinformatics©
Volume 20(3):174-181,
2019.
Homology 3-D model for docking
Hemagglutinin protein of influenza A (H1N1) virus binding ligand inhibitors
Yadav Pallavi,
Mylliemngap Jones Baphilinia,
Annipindi Eashwar, Bhattacharjee Atanu.
Bioinformatics Laboratory, Department of
Biotechnology and Bioinformatics, Permanent Campus, North Eastern Hill University, Umshing, Shillong, India.
ABSTRACT
Pallavi Y, Baphilinia
MJ, Eashwar A, Atanu B., Homology
3-D model for docking Hemagglutinin protein of influenza A (H1N1) virus binding
ligand inhibitors, Onl J Bioinform.,
20(3):174-181,
2019. Swine flu is currently a pandemic
infectious disease caused by influenza A(H1N1) virus.
The antigenic glycoprotein surface protein hemagglutinin binds the virus to monosaccharide
sialic acid of target cells. A newly sequenced Hemagglutinin protein of
influenza A virus (H1N1) was characterized In silico to deduce its structural
information to identify potential drugs which might inhibit the protein. The 3-D
structure of the protein was thus identified. Using drug data bank and NIST
Standard Reference Database the 3-D structure of ligand was retrieved. QSAR with
Molinspiration were tested against Amantadine, Oseltamivir,
Zanamivir and Tamiflu. Amantadine an antiviral drug not
used to treat swine flu and Tamiflu acid exhibited optimal docking energy with
H1N1.
Keywords: influenza A (H1N1) virus, Homology
modelling, docking, QSAR, ligand.
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