Title:Molecular Docking, DFT Studies and ADMET Simulations for Evaluating Already Approved FDA Drugs as Inhibitors for SARS-Cov-2 RNADependent Polymerase
VOLUME: 18
Author(s):Manos C. Vlasiou*, Kyriakos I. Ioannou and Kyriaki S. Pafiti
Affiliation:Department of Life and Health Sciences, University of Nicosia, Nicosia 2417,, Department of Life and Health Sciences, University of Nicosia, Nicosia 2417,, Department of Life and Health Sciences, University of Nicosia, Nicosia 2417
Keywords:Covid-19, Remdesivir, Molecular Docking, DFT Studies, Toxicity StudiesCovid-19, Remdesivir, Molecular Docking, DFT Studies, Toxicity Studies
Abstract:Background: Remdesivir, a drug in use for Ebola it is already tested in clinical trials phase III
Objective: To evaluate any other possible related structures with similar properties that could be used in clinical trials for
Covid-19.
Methods: Molecular docking studies, DFT studies, ADMET studies
Result: Saquinavir is a chemical structure with similar and even a better chemical activity that drugs that entered clinical
trials for Covid-19
Conclusion: Saquinavir should be entered the clinical trials for the treatment of the Covid-19 disease, as it has shown
excellent binding affinities to SARS Cov-2 RNA depended polymerase and forms stable complexes with the protein and
could possible inhibited its action.
