Inhibitory potential of dietary phytocompounds of nigella sativa against key targets of novel coronavirus (Covid-19)

ABSTRACT

Aim/Background: Dietary factors have shown important role in the rapid management of several human ailments including viral infections. Since ancient times, constituents of Nigella sativa seeds have been utilized as food preservatives with significant medicinal benefits in Unani and Ayurveda practices. Nigella sativa (Black seed) has presented significant therapeutic potential against several disorders and known to have numerous biological activities (such as antibacterial, antiviral and anti-inflammatory). Nigella plant has shown significant potential in the reduction of viral load as well as in enhancing immunity. Materials and Methods: Our study enlightens the inhibitory role of phytocompounds of Nigella sativa against various key targets of coronavirus through in silico approaches including molecular docking using several software’s such as AUTO DOCK 4.2 and PATCH DOCK. Results: Thus in this study, we have elucidated the potential of best reported phytocompounds of Nigella sativa as potent inhibitors of COVID-19. We have mainly focused our study towards inhibiting four different targets in CoVs. Molecular docking was performed between 10 potent compounds to identify best potential inhibitor which could inhibit the viral attachment and replication. Nigellone have shown the most significant inhibitory potential (with Binding energy of-5.48) against all the four crucial targets of coronavirus. Conclusion: Further, in vitro experiments are needed to validate the efficacy of Nigellone as a potential lead compound for the management of COVID-19 disease. © 2021, Association of Pharmaceutical Teachers of India. All rights reserved.