Author: Nayeem, Shaik Mahammad; Sohail, Ershad Mohammed; Sudhir, Gajjela Priyanka; Reddy, Munnangi Srinivasa
Title: Computational and theoretical exploration for clinical suitability of Remdesivir drug to SARS-CoV-2 Cord-id: 4upv5fbz Document date: 2020_10_13
ID: 4upv5fbz
Snippet: A methodology for the exploration of clinical suitability of Remdesivir drug to SARS-CoV-2 main protease based on the computational, theoretical analysis pertinent to Gibb's free energy computed from the Molecular Dynamic simulations with OPLS-AA force field at 300 K/atmospheric pressure and the variation of thermodynamic potentials over the entire simulation run of 100 ns. This study emphasized the suitability of Remdesivir drug to SARS-CoV-2 protein and the same is emphasized by the results of
Document: A methodology for the exploration of clinical suitability of Remdesivir drug to SARS-CoV-2 main protease based on the computational, theoretical analysis pertinent to Gibb's free energy computed from the Molecular Dynamic simulations with OPLS-AA force field at 300 K/atmospheric pressure and the variation of thermodynamic potentials over the entire simulation run of 100 ns. This study emphasized the suitability of Remdesivir drug to SARS-CoV-2 protein and the same is emphasized by the results of global clinical trials. This methodology can be applied for future design, development of more specific repurposed inhibitors for the treatment of SARS-CoV-2 infection.
Search related documents:
Co phrase search for related documents- acute respiratory syndrome and low capability: 1, 2
Co phrase search for related documents, hyperlinks ordered by date