Abstract
In the present study, we investigated natural compounds contained in Moroccan medicinal plants and that might be used as natural inhibitors of the novel coronavirus, SARS-CoV-2, that causes coronavirus disease 2019 (COVID-19). We first performed a literature search for natural inhibitors of SARS or MERS coronaviruses. We then selected natural compounds that have been biologically tested and confirmed to possess anti-coronavirus activity. Subsequently, we used a molecular docking to determine whether the selected molecules could interact with the virus proteins. The compounds selected from virtual screening were then subjected to an in-silico analysis of absorption, distribution, metabolism and excretion (ADME) properties to select only natural compounds that could be orally bioavailable. Thereafter, a second search has been launched to select Moroccan medicinal plants that contain at least 3 molecules from those natural compounds. As results, among 41 natural inhibitors of SARS or MERS coronaviruses, only 13 have been successfully passed the ADME filtering. These molecules, showed abilities to interact with the novel coronavirus as it was predicted. Using these molecules and based on the data extracted from literature, 29 Moroccan medicinal plants have been found to contain at least 3 of these coronavirus inhibitors. Therefore, the medicinal plants selected in this study might contain direct anti-SARS-CoV-2 compounds.
Potential inhibitors of coronavirus 3-chymotrypsin-like protease (3CLpro): an in silico screening of alkaloids and terpenoids from African medicinal plants
