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

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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.

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Molecular docking evaluates thiazolidine derivatives' effectiveness on SARS-CoV-2 main protease, implying potential antiviral strategies.

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Hassan et al. (2026) studied this question.

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