The Potential of Usnic-Acid-Based Thiazolo-Thiophenes as Inhibitors of the Main Protease of SARS-CoV-2 Viruses - Yarovaya, Olga I.; Filimonov, Aleksandr S.; Baev, Dmitriy S.; Borisevich, Sophia S.; Zaykovskaya, Anna V.; Chirkova, Varvara Yu; Marenina, Mariya K.; Meshkova, Yulia V.; Belenkaya, Svetlana V.; Shcherbakov, Dmitriy N.; Gureev, Maxim A.; Luzina, Olga A.; et al. (Viruses, 2024)
Keywords: 3CLpro; active ingredients; active sites; Amino acids; Antiviral activity; Antiviral agents; Antiviral Agents - therapeutic use; Antiviral drugs; antiviral properties; Benzofurans; Chromatography; Coronaviruses; COVID-19; COVID-19 infection; Drug therapy; Enzymes; Free energy; Gibbs free energy; Humans; Influenza; Kinases; Ligands; main protease; Molecular Docking Simulation; molecular dynamics; Molecular Dynamics Simulation; molecular modeling; Molecular modelling; Organic acids; Pandemics; Peptide Hydrolases - metabolism; Pharmaceutical research; Protease inhibitors; Protease Inhibitors - chemistry; Protease Inhibitors - pharmacology; Proteinase; Proteinase inhibitors; proteinases; Proteins; Regulatory approval; RNA polymerase; SARS-CoV-2; SARS-CoV-2 - metabolism; Severe acute respiratory syndrome coronavirus 2; Thiophene; Thiophenes - pharmacology; Usnic acid; Viral Nonstructural Proteins - metabolism; Zika virus; Russia; United States--US; Japan; SARS-CoV-2; 3CLpro; main protease; molecular modeling; usnic acid