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Computational Studies Reveal Piperine, the Predominant Oleoresin of Black Pepper (Piper nigrum) as a Potential Inhibitor of SARS-CoV-2 (COVID-19)


Affiliations
1 ICAR-National Bureau of Agriculturally Important Microorganisms, Kushmaur, Mau 275 103, India
2 Department of Bioinformatics, Alagappa University, Karaikudi 630 003, India
3 Centre for Agricultural Bioinformatics, ICAR-Indian Agricultural Statistics Research Institute, New Delhi 110 002, India
 

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 pock-et 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 packag-ing 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.

Keywords

Binding Affinity, Black Pepper, COVID-19, Homology Modelling, Piperine.
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  • Computational Studies Reveal Piperine, the Predominant Oleoresin of Black Pepper (Piper nigrum) as a Potential Inhibitor of SARS-CoV-2 (COVID-19)

Abstract Views: 483  |  PDF Views: 122

Authors

Prassan Choudhary
ICAR-National Bureau of Agriculturally Important Microorganisms, Kushmaur, Mau 275 103, India
Hillol Chakdar
ICAR-National Bureau of Agriculturally Important Microorganisms, Kushmaur, Mau 275 103, India
Dikchha Singh
ICAR-National Bureau of Agriculturally Important Microorganisms, Kushmaur, Mau 275 103, India
Chandrabose Selvaraj
Department of Bioinformatics, Alagappa University, Karaikudi 630 003, India
Sanjeev Kumar Singh
Department of Bioinformatics, Alagappa University, Karaikudi 630 003, India
Sunil Kumar
Centre for Agricultural Bioinformatics, ICAR-Indian Agricultural Statistics Research Institute, New Delhi 110 002, India
Anil Kumar Saxena
ICAR-National Bureau of Agriculturally Important Microorganisms, Kushmaur, Mau 275 103, India

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 pock-et 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 packag-ing 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.

Keywords


Binding Affinity, Black Pepper, COVID-19, Homology Modelling, Piperine.



DOI: https://doi.org/10.18520/cs%2Fv119%2Fi8%2F1333-1342