Natural product emerging as potential sars spike glycoproteins-ace2 inhibitors to combat COVID-19 attributed by in-silico investigations

Abstract

COVID-19 is a pandemic infectious disorder that emerged as a major outbreak for the community and health care system across the globe. Since the currently available drug therapeutics available for COVID-19 are prone to provide symptomatic and supportive relief, which has invited the entire scientist of all over the nations to investigate therapeutic drug candidates accompanied by anti-COVID-19 activity. The recognition of ACE2 mediated entry of SARS-CoV-2 encouraged us to investigate natural products as a potential inhibitor of the SARS spike glycoprotein-Human ACE2 complex. Using the strategy of molecular docking, we have assessed berberine, indigo blue, β-sitosterol, glycyrrhizin, indirubin, hesperetin, bicylogermacrene, β-caryophyllene, chrysophanic acid, rhein, curcumin, and eugenol for their inhibitory activity towards SARS spike glycoprotein-Human ACE2 complex. We have investigated including indigo blue, glycyrrhizin, β-sitosterol, indirubin, bicylogermacrene, curcumin, hesperetin, rhein, berberine with an affinity of-11.2,-10.9.-10.1,-9.8,-9.5,-9.3,-9.2,-9.1 and-9.0 kcal/mol respectively as in silico inhibitors of SARS spike glycoprotein-Human ACE2 complex which can vitalize the researchers for in-vivo assessment of these natural products.