Evaluation of Yashtimadhu (Glycyrrhiza glabra) Active Phytochemicals against Novel Coronavirus (SARS-CoV-2)

Abstract

Corona Virus Disease 2019 (COVID-19) caused by a novel coronavirus has spread all over the globe and become pandemic now. Until now several vaccines have come-up with limited efficacy for the managing COVID-19. However, several studies are still going on to find suitable therapeutic drugs which can target viral proteins or host receptor. Hence the search for plant-based anti-viral agents against the SARS-CoV-2 is promising because several plants have been shown to possess anti-viral activities against different viruses. Here, we used in silico approach to explore the use of Indian Ayurvedic herbs, Yashtimadhu against COVID-19. In the present study we have evaluated the effectiveness of phytochemicals found in Yashtimadhu against Main Protease (Mpro), Spike (S) protein and RNA-dependent RNA polymerase (RdRp) of SARS-CoV-2 as well as human angiotensin converting enzyme 2 (ACE2) receptor and furin protease. Apart from this, we have also predicted the anti-viral, in-silico druglikeness, pharmacokinetics, toxicity, protein targets, and their function for the phytochemicals found in the Yashtimadhu. Our study shows that several phytochemicals found in this plant have potential to bind with important proteins of SARS-CoV-2 which are essential for viral infection and replication. Overall our study provides scientific basis in terms of binding of active ingredients present in Yashtimadhu with SARS-CoV-2 target proteins. Molecular docking and MD simulation studies reveal that Yashtimadhu may inhibit the viral severity by interfering with viral entry as well as its multiplication in the infected persons. Thus, Yashtimadhu may be helpful in the prevention and management of the COVID-19.