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ROLE OF ARGININE TRIAD IN INFLUENZA VIRUS NEURAMINIDASE FOR LIGAND RECOGNITION. Jayanta Sarma, Saroj Basnet, Pardeep Kumar, Gurvinder Singh

ROLE OF ARGININE TRIAD IN INFLUENZA VIRUS NEURAMINIDASE FOR LIGAND RECOGNITION.

Jayanta Sarma, Saroj Basnet, Pardeep Kumar, Gurvinder Singh

International Journal of Natural Product Science 2012: Spl Issue 1:205.

Abstract(RBIP-205)

The neuraminidase on influenza virus is the prime target for antiviral drugs based on which zanamivir and oseltamivir were developed. However, resistance to these drugs due to antigenic shift is the main concern to H1N1 virus. To solve this problem, the computational approach was used for insight into key interacting residues. The goal of structure based drug design is to create a ligand which binds with high affinity to a protein target. Herein, we report the docking study and binding free-energy calculation currently developed anti-influenza agents mainly interacting Arginine Triad. The results may help to solve the drug resistance problem and designing for more effective drugs against various strains of 2009-H1N1 infleunza pandemic. The role of Arginine Triad in proper orientation of ligand was taken as main concern in this study.

Keywords: Influenza, Docking, Neuraminidase, Drug resistance, 2009-H1N1, MM-GB/SA, Rigid Docking, Free energy, Flexible Docking
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