Exploring the impact of H5N1 neuraminidase (H274Y) mutation on Peramivir: A bio-computational study from a molecular perspective

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J Biomol Struct Dyn. 2019 Oct 6:1-11. doi: 10.1080/07391102.2019.1677501. [Epub ahead of print] Exploring the impact of H5N1 neuraminidase (H274Y) mutation on Peramivir: A bio-computational study from a molecular perspective.

Buthelezi NM¹, Mhlongo NN¹, Amoako DG^2,3, Somboro AM^2,3, Sosibo SC⁴, Shunmugam L¹, Machaba KE¹, Kumalo HM¹.
Author information

1 Discipline of Medical Biochemistry, School of Laboratory Medicine and Medical Science, University of KwaZulu-Natal , Durban , South Africa. 2 Infection Genomics and Applied Bioinformatics Division, Antimicrobial Research Unit, College of Health Sciences, University of KwaZulu-Natal , Durban , South Africa ; 3 Biomedical Resource Unit, School of Laboratory Medicine and Medical Sciences, College of Health Sciences, University of KwaZulu-Natal , Durban , South Africa ; 4 School of Physical and Chemical Sciences, Department of Chemistry, North West University , Mmabatho , South Africa.

Abstract

List of Abbreviations ARDS Acute Respiratory Distress Syndrome HA Haemagglutinin GAFF General Amber force field MD Molecular Dynamic NA Neuraminidase NAI Neuraminidase Inhibitor PCA Principal Component Analysis ROG Radius of Gyration RIN Residue Interaction Network RMSD Root Mean Square Deviation RMSF Root Mean Square Fluctuations VMD Visual Molecular Dynamics.


KEYWORDS:

H274Y; H5N1; Neuraminidase inhibitors; Peramivir; influenza; mutation

PMID: 31588851 DOI: 10.1080/07391102.2019.1677501