Background: Since December 2019, COVID-19 has become a new health crisis in the world and has been declared a public health emergency of international concern by WHO. In search of anti-COVID treatment regimen, we applied molecular docking approach in order to identify the natural compounds that may have potential for anti-COVID treatment with specific target and selective inhibitory mechanism. Our goal is to identify the potential anti-COVID compounds based on virtual screening of the protein of spike glycoprotein as virtual inhibition target.
Methods: Molecular docking was carried out by using Molergo Virtual Docker. 35 compounds from different plant sources were selected and docked in the enzyme pocket.
Results: The docking result revealed that some of the compounds exhibited good potency against the virus and can be used further for developing new drug regimen.
Conclusion: The compounds of natural origin could be a good target and can be used as lead compounds for the treatment of this dreadful disease.
[http://dx.doi.org/10.1016/j.ejphar.2020.173448] [PMID: 32768503]
[http://dx.doi.org/10.1007/s11030-021-10211-9] [PMID: 33856591]
[http://dx.doi.org/10.1016/j.cell.2020.03.045] [PMID: 32275855]
[http://dx.doi.org/10.1096/fj.202001792R] [PMID: 33749932]
[http://dx.doi.org/10.1080/14786419.2020.1806274] [PMID: 32787584]
[http://dx.doi.org/10.1016/j.phymed.2020.153310] [PMID: 32948420]
[http://dx.doi.org/10.1080/07391102.2020.1772108] [PMID: 32431217]
[http://dx.doi.org/10.3389/fimmu.2020.01451] [PMID: 32636851]