Computational studies reveal piperine, the predominant oleoresin of black pepper (Piper nigrum) as a potential inhibitor of SARS-CoV-2 (COVID-19)

Abstract

In this study, we screened 26 bioactive compounds present in various spices for activity against SARS-CoV-2 using molecular docking. Results showed that piperine, present in black pepper had a high binding affinity (-7.0 kCal/mol) than adenosine monophos-phate (-6.4 kCal/mol) towards the RNA-binding pocket of the nucleocapsid. Molecular dynamics simulation of the docked complexes confirmed the stability of piperine docked to nucleocapsid protein as a potential inhibitor of the RNA-binding site. Therefore, piperine seems to be potential candidate to inhibit the packaging of RNA in the nucleocapsid and thereby inhibiting the viral proliferation. This study suggests that consumption of black pepper may also help to combat SARS-CoV-2 directly through possible antiviral effects, besides its immunomodulatory functions.