Ligand-based design, molecular dynamics and ADMET studies of suggested SARS-CoV-2 M pro inhibitors
Nada M. Mohamed, Eslam M.H. Ali, Asmaa M. AboulMagd · RSC Advances · 2021
binding site better than I, II and VII-X. The most promising chromen-2-one based compounds V-VI had sufficiently acceptable physicochemical and ADMET properties to be considered new leads for further investigations. This new understanding should help to improve predictions of the impact of new treatments on COVID-19.