Natural Product Emerging as Potential SARS Spike Glycoproteins-ACE2 Inhibitors to Combat COVID-19 Attributed by In-Silico Investigations

2020 Biointerface Research in Applied Chemistry  
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
more » ... ducts 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.
doi:10.33263/briac113.1062810639 fatcat:6etagb4t3fgz3nw6xqkyrcyohy