reynosin and 4-fluorobenzoic-acid

In the work described here, a number of sesquiterpenes and benzoxazinoids from natural sources, along with their easily accessible derivatives, were evaluated against the main protease, RNA replicase and spike glycoprotein of SARS-CoV-2 by molecular docking. These natural products and their derivatives have previously shown remarkable antiviral activities. The most relevant compounds were the 4-fluoro derivatives of santamarine, reynosin and 2-amino-3

Topics: Antiviral Agents; Benzoates; Benzoxazines; Biological Products; Coronavirus 3C Proteases; COVID-19; Humans; Hydrogen; Ligands; Molecular Docking Simulation; Molecular Dynamics Simulation; Protease Inhibitors; RNA-Dependent RNA Polymerase; SARS-CoV-2; Sesquiterpenes; Spike Glycoprotein, Coronavirus