Selected article for: "docking tool and molecular docking tool"

Author: Vlasiou, Manos C.; Pafti, Kyriaki S.
Title: Screening Possible Drug Molecules for Covid-19. The Example of Vanadium (III/IV/V) Complex Molecules with Computational Chemistry and Molecular Docking
  • Cord-id: fjw6ikzx
  • Document date: 2021_1_30
  • ID: fjw6ikzx
    Snippet: After the Covid-19 pandemic and the aggressively infection control measures taken by the governments in the whole world, the need for a rapid pharmaceutical solution was more that necessary. The computer aided chemistry and molecular docking is a rapid tool to drug screening and investigation. Moreover, more metal-based drugs are tested daily by research institutes for their antiviral activity. Here, we used theoretical studies on previously published biological active complex molecules of vanad
    Document: After the Covid-19 pandemic and the aggressively infection control measures taken by the governments in the whole world, the need for a rapid pharmaceutical solution was more that necessary. The computer aided chemistry and molecular docking is a rapid tool to drug screening and investigation. Moreover, more metal-based drugs are tested daily by research institutes for their antiviral activity. Here, we used theoretical studies on previously published biological active complex molecules of vanadium as an example of evaluating possible drug candidates before entering the laboratory. Our findings suggest that theoretical investigation should always precede on drug discovery.

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