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Article

Molecular Docking of Natural Compounds from Tulsi (Ocimum sanctum) and neem (Azadirachta indica) against SARS-CoV-2 Protein Targets

Arun HS Kumar1★★ Corresponding author

  1. 1School of Veterinary Medicine, University College Dublin, Belfield, Dublin, IRELAND.

CORRESPONDENCE

Arun HS Kumar

School of Veterinary Medicine, University College Dublin, Belfield, Dublin, IRELAND.

arun.kumar@ucd.ie

Received: 26-03-2020; Revised: 09-04-2020; Accepted: 15-04-2020.

Volume 6, Issue 1 · pp. 11–13 · PUBLISHED · DOI: 10.5530/bems.6.1.4

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ABSTRACT

Background: Antiviral activity of tulsi and neem extracts are widely reported. Selected natural compounds from tulsi and neem were hence screened for their efficacy against SARS-CoV-2 targets. Materials and Methods:Using molecular docking tools, the binding efficacy ofnatural compounds from tulsi and neem were tested against three key SARS-CoV-2 targets i.e., 1) surface glycoprotein (6VSB) responsible for viral attachment, 2) RNA dependent RNA polymerase (6M71) responsible for viral replication and 3) main protease (6Y84) responsible for viral replication. Results: Methyl eugenol, oleanolic acid and ursolic acid had high binding efficacy against surface spike glycoprotein and RNA polymerase of SARS-CoV-2. Epoxyaza- diradione, Gedunin, Methyl eugenol, Oleanolic acid and Ursolic acid showed high binding efficacy against the main protease of SARS-CoV-2. Binding efficacy of natural compounds from tulsi and neem was superior to that of the standard drugs Lopinavir/Ritonavir and Remdesivir. Conclusion: Natural compounds from tulsi and neem have high binding efficacy against SARS-CoV-2 targets involved in viral attachment and replication, hence will be useful in the management of infection caused by SARS-CoV-2.

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    Kumar, A. H. (). Molecular Docking of Natural Compounds from Tulsi (Ocimum sanctum) and neem (Azadirachta indica) against SARS-CoV-2 Protein Targets. Biology, Engineering, Medicine and Science Reports, 6(1), 11–13. https://doi.org/10.5530/bems.6.1.4