Molecular docking of cyanine and squarylium dyes with SARS‐CoV‐2 proteases NSP3, NSP5 and NSP12
Pavel Pronkin,
Alexander Tatikolov
Abstract:Background: The outbreak and continued spread of coronavirus infection (COVID-19) sets the goal of finding new tools and methods to develop analytical procedures and tests to detect, study infection and prevent morbidity. Methods: The noncovalent binding of cyanine and squarylium dyes of different classes (60 compounds in total) with the proteases NSP3, NSP5, and NSP12 of SARS-CoV-2 was studied by the method of molecular docking. Results: The interaction energies and spatial configurations of dye molecules in … Show more
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