Molecular docking and dynamics of some thiazolidine derivatives using the SARS-CoV-2 main protease as target protein

Key Points

• The research aims to explore how thiazolidine derivatives interact with the SARS-CoV-2 main protease through molecular docking and dynamics.
• Conducted molecular docking simulations for thiazolidine derivatives on SARS-CoV-2 main protease.
• Performed molecular dynamics analysis to assess stability and interactions over time.
• Evaluated binding affinities and biological activity of the compounds.
• Identified key thiazolidine derivatives with strong binding affinity to the main protease.
• Demonstrated that certain derivatives maintained stability during molecular dynamics simulations.
• Highlighted potential candidates for further antiviral drug development against SARS-CoV-2.