In Silico Analysis of the Multi-Targeted Mode of Action of Ivermectin and Related Compounds

Some clinical studies have indicated activity of ivermectin, a macrocyclic lactone, against COVID-19, but biological mechanism initially proposed for this anti-viral effect is not applicable at physiological concentrations. This in silico investigation explores potential modes action ivermectin and 14 related compounds, by which the infectivity morbidity SARS-CoV-2 virus may be limited. Binding affinity computations were performed these agents on several docking sites each models (1) spike glycoprotein virus, (2) CD147 receptor, has been identified as secondary attachment point (3) alpha-7 nicotinic acetylcholine receptor (α7nAChr), an viral penetration neuronal tissue well activation site cholinergic anti-inflammatory pathway controlled vagus nerve. affinities calculated multiple binding compound. Our results indicate high even higher some other compounds evaluated, all three molecular targets. These suggest mechanisms limit stimulate α7nAChr-mediated that could cytokine production immune cells.