Binding repurposed drugs and aminothiourea derivatives to SARS-CoV-2 enzymes—a docking perspective

Abstract Binding of over 20 approved drugs proposed for the repurposing for COVID-19 treatment and over 160 aminothioureas derivatives to SARS-CoV-2 enzymes which structures became available very recently have been evaluated using a few docking algorithms. These studies support potential effectiveness of homobarringtonine, chloroquine, rimcazole, and benserazine. From among studied aminothioureas thiadiazoles with pyrrol-derived substituents at the carbon atom, and ortho-hydroxyphenyl at the nitrogen atom are potential lead compounds for future drugs development.