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

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

Журнал

Viruses
ISSN: 1999-4915

Вых. Данные

Год: 2023, Том: 15, Номер: 4, Страницы: 902 Страниц : 1 DOI: 10.3390/v15040902

Ключевые слова

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

Авторы

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

Организации

1	Уфимский Институт химии Российской академии наук
2	Федеральное бюджетное учреждение науки Санкт-Петербургский научно-исследовательский институт эпидемиологии и микробиологии им. Пастера
3	Федеральное бюджетное учреждение науки Государственный научный центр вирусологии и биотехнологии Вектор
4	Новосибирский институт органической химии им. Н.Н. Ворожцова СО РАН

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. P.902. DOI: 10.3390/v15040902 WOS РИНЦ

Поступила в редакцию:	15 мар. 2023 г.
Принята к публикации:	29 мар. 2023 г.
Опубликована online:	31 мар. 2023 г.

Web of science	WOS:000978179700001
РИНЦ	61278002
OpenAlex	W4362475120