Molecular docking of natural compounds from tulsi (Ocimum sanctum) and neem (Azadirachta indica) against SARS-CoV-2 protein targets

Title: Molecular docking of natural compounds from tulsi (Ocimum sanctum) and neem (Azadirachta indica) against SARS-CoV-2 protein targets
Authors: Kumar, Arun H.S.
Permanent link: http://hdl.handle.net/10197/12070
Date: 7-May-2020
Online since: 2021-03-30T10:20:49Z
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 of natural 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. Epoxyazadiradione, 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.
Funding Details: University College Dublin
Funding Details: Royal Society-UK
Stemcology
Type of material: Journal Article
Publisher: Research Square
Journal: Research Square
Start page: 1
End page: 9
Keywords: Protease inhibitorsRNA polymerase inhibitorCoronavirusAntiviral drugsSARS-CoV-2Viral entryGlycoproteinCOVID-19
DOI: 10.21203/rs.3.rs-27151/v1
Language: en
Status of Item: Not peer reviewed
ISSN: 0009-7330
This item is made available under a Creative Commons License: https://creativecommons.org/licenses/by/3.0/ie/
Appears in Collections:Veterinary Medicine Research Collection

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