According to the World Health Organisation, on March 27, 2020, the number of confirmed cases of COVID-19 has already exceeded 509.000 with about of 23.000 deaths worldwide. Given this, the impact of COVID-19 on humanity cannot be overlooked, and basic research are urgently needed. This research aims to find antagonists already approved for another diseases, that may inhibit activity of the main protease <i>(Mpro)</i> of the SARS-CoV-2 virus, as well as modulate the <i>ACE2</i> receptors, largely found in lung cells and reduce viral replication by inhibiting <i>NSP12 RNA Polymerase</i>. Docking molecular simulations were realized among a total of <i>28 ligands</i> published in the literature against COVID-19. Docking studies were made with algorithm of <i>AutoDock Vina 1.1.2</i> software. A structure-based virtual screening was performed with <i>MTiOpenScreen</i>. Subsequently, the physical-chemical and pharmacokinetic parameters were analyzed with <i>SwissADME</i> in order to select only the most promising ones. Finally, simulations of molecular dynamics with elapsed time of <i>4 nanoseconds</i> (ns) were analysed in order to better understand the action of drugs to the detriment of the limitations of molecular docking. This work has shown that, in comparative terms, <i>Simeprevir</i>, <i>Paritaprevir</i>, <i>Remdesivir</i> and <i>Baricitinib</i> are currently among the most promising in remission of symptoms from the disease. <i>Hydroxy-chloroquine</i>, <i>Chloroquine</i> and <i>Azithromicin</i> were not showed effective, as monotherapies, against COVID-19 or <i>lung cell</i> receptors.