Simulation of Molecular Dynamics of SARS-CoV-2 S-Protein in the Presence of Multiple Arbidol Molecules: Interactions and Binding Mode Insights

Simulation of Molecular Dynamics of SARS-CoV-2 S-Protein in the Presence of Multiple Arbidol Molecules: Interactions and Binding Mode Insights

In this work, we evaluated the antiviral activity of Arbidol (Umifenovir) against SARS-CoV-2 using a pseudoviral system with the glycoprotein S of the SARS-CoV-2 virus on its surface. In order to search for binding sites to protein S of the virus, we described alternative binding sites of Arbidol in...

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Bibliographic Details
Main Authors: Sophia S. Borisevich, Edward M. Khamitov, Maxim A. Gureev, Olga I. Yarovaya, Nadezhda B. Rudometova, Anastasiya V. Zybkina, Ekaterina D. Mordvinova, Dmitriy N. Shcherbakov, Rinat A. Maksyutov, Nariman F. Salakhutdinov
Format: Article
Language:English
Published: MDPI AG 2022-01-01
Series:Viruses
Subjects:
SARS-CoV-2
coronavirus surface protein S-spike
arbidol
molecular dynamics
molecular docking
pseudoviral system
Online Access:https://www.mdpi.com/1999-4915/14/1/119

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https://www.mdpi.com/1999-4915/14/1/119

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