Using a computational pipeline that aimed to expeditiously identify lead compounds against COVID-19, we combined compound library preparation, molecular modeling, and structure simulations to generate an ensemble of conformations and increase high-quality docking outcomes against two essential SARS-CoV-2 viral proteins and their host protein interactions; S/ACE2, Tmprss2, Cathepsin L and K, and Mpro that are known to control both viral binding or entry and virus replication (Figure 1A). This evidence concerns the gene ACE2 and COVID-19.