India is a land of Ayurveda. Indians have been consuming herbs and medicinal plants as daily routine spices in their households. As depicted in this study, N. sativa has the potential to be taken up as a treatment for COVID-19. This is the reason that lot of interest has been diverted by the Government of India to explore the potential of herbal drugs for the management and cure of COVID-19 in India. Currently, AYUSH (The Ministry of Ayurveda, Yoga & Naturopathy, Unani, Siddha and Homoeopathy) as well as some of the pharmaceutical companies are coming forward to formulate and sell these herbal drugs and supplements. The current study is the first report and we have deciphered the mechanism of action of N. sativa bioactive constituents by protein interaction and docking studies as well as proven their binding efficiency with ACE2 receptor and now this can be studied further in wet lab and be formulated as the medicine to combat the deadly disease COVID-19.