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2000
Volume 21, Issue 1
  • ISSN: 2211-3525
  • E-ISSN: 2211-3533

Abstract

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.

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/content/journals/aia/10.2174/2211352520666220404093338
2023-02-01
2025-10-18
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/content/journals/aia/10.2174/2211352520666220404093338
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  • Article Type:
    Research Article
Keyword(s): Coronavirus; COVID19; MERS; natural plants; spike glycoprotein; WHO
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