Vol 66 No 1 (2021): Journal of the Chilean Chemical Society
Original Research Papers

Minor composition compounds of Algerian herbal medicines as inhibitors of SARS-CoV-2 main protease: Molecular Docking and ADMET properties prediction

Benalia YABRIR
Faculty of Nature and Life Sciences, University Ziane Achour, Djelfa
Published February 9, 2021
  • COVID-19, SARS-CoV-2, Algerian herbal, Natural compounds, Piperitol, ADMET, Molecular Docking.
How to Cite
YABRIR, B. (2021). Minor composition compounds of Algerian herbal medicines as inhibitors of SARS-CoV-2 main protease: Molecular Docking and ADMET properties prediction. Journal of the Chilean Chemical Society, 66(1), 5067-5074. Retrieved from




The identification of drugs against the new coronavirus (SARS-CoV-2) is an important requirement. Natural products are substances that serve as sources of beneficial chemical molecules for the development of effective therapies. In this study, 187 natural compounds from Algerian herbal medicines were docked in the active site of SARS-CoV-2 main protease. The result indicates that Piperitol, Warfarin, cis-calamenen-10-ol and α-Cadinene are the structures with best affinity in the binding site of the studied enzyme and all of them respect the conditions mentioned in Lipinski’s rule and have acceptable ADMET proprieties; so, these compounds could have more potent antiviral treatment of COVID-19 than the studied compounds, and they have important pharmacokinetic properties and bioavailability.


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