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Bioinformation. 2019 Oct 31;15(10):730-734. doi: 10.6026/97320630015730. eCollection 2019.

Molecular docking analysis of zanamavir with haem agglutinin neuraminidase of human para influenza virus type 3.

Author information

1
Department of Virology, King Institute of Preventive Medicine and Research, Guindy, Chennai, India.
2
Research and Development Wing, Sree Balaji Medical College and Hospital, BIHER, Chrompet, Chennai-600044, India.
3
R and D Wing, Sree Balaji Medical College and Hospital, BIHER, Chromepet, TamilNadu-600044.
4
Department of Inorganic Chemistry, University of Madras, Guindy, Chennai-600032, India.

Abstract

The human para influenza virus (HPIV) type 3 is an imperative respiratory virus which cause upper and lower respiratory infections. The receptor involved in the viral infection is haem agglutinin neuraminidase. It is of interest to study the interaction of haem agglutinin neuraminidase with zanamavir (4-GU-DANA), a known antiviral drug. We used the PDB structures with PDB IDs 1V2I, 1V3B, 1V3D and 1V3E for studying the interactions with zanamavir. The binding features of zanamavir with 1V2I (1.41kcal/mol) and 1V3E (11.81kcal/mol) having optimal interactions is reported for further consideration.

KEYWORDS:

Human para influenza virus; haem agglutinin; molecular docking; neuraminidase; respiratory infections

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