In Silico Studies on Psilocybin Drug Derivatives Against SARS-CoV-2 and Cytokine Storm of Human Interleukin-6 Receptor

Compounds from psilocybin-containing mushrooms—psilacetin, psilocin, and psilocybine—were computationally screened and found to bind to the SARS-CoV-2 main protease (Mpro) with binding energies of −6.0, −5.4, and −5.8 kcal/mol, respectively. Psilacetin also bound to human interleukin-6 receptors, suggesting a potential to reduce cytokine storm. These interactions altered the structural dynamics and Gibbs free energy patterns of the proteins. The results suggest that psilocybin-mushroom compounds could be developed as chemotherapeutic agents against SARS-CoV-2.

Study at a glance

Abstract

Various metabolites identified with therapeutic mushrooms have been found from different sources and are known to have antibacterial, antiviral, and anticancer properties. Over thousands soil growth-based mushroom metabolites have been discovered, and utilized worldwide to combat malignancy. In this study, psilocybin-mushroom that contains the psychedelic compounds such as psilacetin, psilocin, and psilocybine were screened and found to be inhibitors of SARS-CoV-2 Mprotease. It has been found that psilacetin, psilocin, and psilocybine bind to Mprotease with −6.0, −5.4, and −5.8 kcal/mol, respectively. Additionally, the psilacetin was found to inhibit human interleukin-6 receptors to reduce cytokine storm. The binding of psilacetin to Mprotease of SARS-CoV-2 and human interleukin-6 receptors changes the structural dynamics and Gibbs free energy patterns of proteins. These results suggested that psilocybin-mushroom could be utilized as viable potential chemotherapeutic agents for SARS-CoV-2.