Molecular Modeling of Viral Type I Fusion Proteins: Inhibitors of Influenza Virus Hemagglutinin and the Spike Protein of Coronavirus | Sciact - CRIS-system of Boreskov Institute of Catalysis

Molecular Modeling of Viral Type I Fusion Proteins: Inhibitors of Influenza Virus Hemagglutinin and the Spike Protein of Coronavirus Review

Journal

Viruses
, E-ISSN: 1999-4915

Output data

Year: 2023, Volume: 15, Number: 4, Article number : 902, Pages count : 30 DOI: 10.3390/v15040902

Tags

viral fusion proteins type I; influenza virus; hemagglutinin; coronavirus; S-protein; SARS-CoV-2; molecular modeling; molecular docking; molecular dynamic simulations

Authors

Borisevich Sophia S. ¹ , Zarubaev Vladimir V. ² , Shcherbakov Dmitriy N. ³ , Yarovaya Olga I. ⁴ , Salakhutdinov Nariman F. ⁴

Affiliations

1	Laboratory of Chemical Physics, Ufa Institute of Chemistry Ufa Federal Research Center, 450078 Ufa, Russia
2	Laboratory of Experimental Virology, Saint-Petersburg Pasteur Institute, 197101 Saint Petersburg, Russia
3	State Research Center of Virology and Biotechnology VECTOR, Rospotrebnadzor, 630559 Koltsovo, Russia
4	Department of Medicinal Chemistry, N.N. Vorozhtsov Novosibirsk Institute of Organic Chemistry SB RAS, 630090 Novosibirsk, Russia

The fusion of viral and cell membranes is one of the basic processes in the life cycles of viruses. A number of enveloped viruses confer fusion of the viral envelope and the cell membrane using surface viral fusion proteins. Their conformational rearrangements lead to the unification of lipid bilayers of cell membranes and viral envelopes and the formation of fusion pores through which the viral genome enters the cytoplasm of the cell. A deep understanding of all the stages of conformational transitions preceding the fusion of viral and cell membranes is necessary for the development of specific inhibitors of viral reproduction. This review systematizes knowledge about the results of molecular modeling aimed at finding and explaining the mechanisms of antiviral activity of entry inhibitors. The first section of this review describes types of viral fusion proteins and is followed by a comparison of the structural features of class I fusion proteins, namely influenza virus hemagglutinin and the S-protein of the human coronavirus.

Borisevich S.S. , Zarubaev V.V. , Shcherbakov D.N. , Yarovaya O.I. , Salakhutdinov N.F.
Molecular Modeling of Viral Type I Fusion Proteins: Inhibitors of Influenza Virus Hemagglutinin and the Spike Protein of Coronavirus
Viruses. 2023. V.15. N4. 902 :1-30. DOI: 10.3390/v15040902 WOS Scopus ANCAN PMID OpenAlex

Submitted:	Mar 15, 2023
Accepted:	Mar 29, 2023
Published online:	Mar 31, 2023
Published print:	Apr 1, 2023

Web of science:	WOS:000978179700001
Scopus:	2-s2.0-85156199497
Chemical Abstracts:	2023:925872
Chemical Abstracts (print):	182:419162
PMID:	37112882
OpenAlex:	W4362475120

DB	Citing
OpenAlex	7
Web of science	4
Scopus	4