Currently, researchers are working globally for finding treatment for this disease in identifying a specific drug or vaccine that can inhibit viral replication at the earliest possible. The devastation of this disease is vividly seen from the data on the WHO website, which shows the infected patient number more than 245 lakhs and casualties more than 8 lakhs, worldwide from 216 countries, and still, it is continuing (https://www.who.int/emergencies/diseases/novel-coronavirus-2019, 29 August 2020). Currently, there are no approved drugs and vaccines for the treatment of COVID-19, but a few drugs such as remdesivir, hydroxychloroquine, etc. are under restricted use in case of emergency (Magagnoli et al., 2020). Meanwhile, the computational tools, molecular docking and molecular dynamics (MD) have gained attention as essential tools to investigate potential inhibitor molecules (Anurag et al., 2020; Gupta et al., 2020; Sourav et al., 2020). Choy et al. reported in-vitro studies showing remdesivir, lopinavir, emetine and homoharringtonine inhibits SARS-CoV-2 replication (Choy et al., 2020). Similarly, Wang et al. reported the inhibition property of remdesivir and chloroquine against novel coronavirus (Wang et al., 2020). In addition to different drug compounds, researchers also searched for natural molecules having antiviral activity. Natural constituents from foods, spices, herbs are also being found to have anti-infective properties. In this context, small active molecules present in natural products and their derivatives have gained tremendous attention as a source of therapeutic agents due to structural diversity for many years.