Title: Computational structural biology and modes of interaction between human annexin A6 with influenza A virus protein M2: a possible mechanism for reducing viral infection

Authors: Sujay Ray; Arundhati Banerjee

Addresses: Department of Biochemistry and Biophysics, University of Kalyani, Kalyani 741245, Nadia, West Bengal, India; Amity Institute of Biotechnology, Amity University Major Arterial Road, Action Area II, Rajarhat, New Town, Kolkata 700135, West Bengal, India ' Department of Biotechnology, National Institute of Technology, Mahatma Gandhi Avenue, Durgapur 713209, West Bengal, India

Abstract: Influenza-A virus is a prime lethal causative factor for influenza. The M2 protein of influenza A virus plays an important responsibility in the cycle of viral replication. The human Annexin A6 protein targets and stops the viral budding for influenza A virus. Here, molecular level interactions between Annexin A6 and influenza A virus M2 protein were examined. Executing the techniques for molecular modelling, the 3D structures of the two proteins were built via energy optimisations. Interactions between the two proteins were analysed by molecular docking studies. Both Annexin A6 and M2 protein interacted strongly with a pivotal role of Asp and Lys residues, respectively. A conformational shift from helices and sheets to coils was observed in the M2 protein after its interaction with Annexin A6. This probe therefore helped to understand the molecular mechanism of the two proteins and the negative modulation of Annexin A6 on the M2 protein from influenza A virus.

Keywords: human annexin A6 protein; influenza A virus protein M2; molecular docking simulations; molecular level interactions; molecular mechanisms; molecular modelling; negative modulation; protein interaction calculator; viral replication cycle.

DOI: 10.1504/IJBRA.2018.094960

International Journal of Bioinformatics Research and Applications, 2018 Vol.14 No.4, pp.321 - 336

Accepted: 03 Sep 2016
Published online: 26 Dec 2017 *

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