In silico modeling of N294S mutation effect on the interaction of influenza virus N8 neuraminidase with zanamivir
https://doi.org/10.18470/1992-1098-2024-4-6
Abstract
The aim of the study is an in silico modeling of avian influenza A/H5N8 virus neuraminidase and zanamivir interaction using homology modeling and molecular docking. A/chicken/Tatarstan/88/2017 (wild type) and A/chicken/Tatarstan/112/2017 (N294S mutation) influenza virus strains with zanamivir complexes were considered. The structures of two avian influenza virus A/H5N8 neuraminidase complexes with zanamivir were obtained and analysed.
Homology modeling and molecular docking provides information about neuraminidase and inhibitors affinity. The data obtained can be used for further investigation to determine the structures and elucidate possible mechanisms of neuraminidase resistance.
Supporting agencies: This study was supported by the Ministry of Science and Higher Education of the Russian Federation (agreement №075‐15‐2021‐1355) within the framework of the implementation of individual activities of the Federal Scientific and Technical Program for the Development of Synchrotron and Neutron Research and Research Infrastructure. The genetic analysis of the strains was conducted with the support by state Russian Science Foundation grant №23‐64‐00005.
About the Authors
E. A. Rukhlova
Vector State Scientific Center of Virology and Biotechnology, Federal Service for Supervision of Consumer Rights Protection and Human Well‐being; Koltsovo
Russian Federation
Russian Federation
Elena A. Rukhlova, Intern Researcher, Department of Zoonotic Infections and Influenza
Novosibirsk Oblast, 630559. Tel. +7 (383) 363‐47‐10 (addit. 21‐66)
G. S. Onkhonova
Vector State Scientific Centre of Virology and Biotechnology, Federal Service for Supervision of Consumer Rights Protection and Human Well–being
Russian Federation
Russian Federation
Galina S. Onkhonova
Koltsovo, Novosibirsk Oblast
M. N. Kosenko
Vector State Scientific Centre of Virology and Biotechnology, Federal Service for Supervision of Consumer Rights Protection and Human Well–being
Russian Federation
Russian Federation
Maksim N. Kosenko
Koltsovo, Novosibirsk Oblast
I. M. Susloparov
Vector State Scientific Centre of Virology and Biotechnology, Federal Service for Supervision of Consumer Rights Protection and Human Well–being
Russian Federation
Russian Federation
Ivan M. Susloparov
Koltsovo, Novosibirsk Oblast
I. A. Sobolev
Federal Research Center for Fundamental and Translational Medicine, Siberian Branch, Russian Academy of Sciences
Russian Federation
Russian Federation
Ivan A. Sobolev
Novosibirsk
A. B. Ryzhikov
Vector State Scientific Centre of Virology and Biotechnology, Federal Service for Supervision of Consumer Rights Protection and Human Well–being
Russian Federation
Russian Federation
Alexander B. Ryzhikov
Koltsovo, Novosibirsk Oblast
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Review
For citations:
Rukhlova E.A., Onkhonova G.S., Kosenko M.N., Susloparov I.M., Sobolev I.A., Ryzhikov A.B. In silico modeling of N294S mutation effect on the interaction of influenza virus N8 neuraminidase with zanamivir. South of Russia: ecology, development. 2024;19(4):68-74. (In Russ.) https://doi.org/10.18470/1992-1098-2024-4-6
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