Molecular docking of natural compounds from tulsi (Ocimum sanctum) and neem (Azadirachta indica) against SARS-CoV-2 protein targets
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|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
|Type of material:||Journal Article||Publisher:||Research Square||Journal:||Research Square||Start page:||1||End page:||9||Keywords:||Protease inhibitors; RNA polymerase inhibitor; Coronavirus; Antiviral drugs; SARS-CoV-2; Viral entry; Glycoprotein; COVID-19||DOI:||10.21203/rs.3.rs-27151/v1||Language:||en||Status of Item:||Not peer reviewed||ISSN:||0009-7330||This item is made available under a Creative Commons License:||https://creativecommons.org/licenses/by/3.0/ie/|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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