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Natural compounds from Djiboutian Medicinal plants as inhibitors of COVID-19 by In silico investigations.pdf (1.05 MB)
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Natural Compounds from Djiboutian Medicinal Plants as Inhibitors of COVID-19 by in Silico Investigations

preprint
submitted on 19.05.2020 and posted on 19.05.2020 by abdirahman elmi, S. al jawad sayem, Mohamed Ahmed, fatouma mohamed
The new coronavirus type SARS-Cov 2 (severe acute respiratory syndrome), which appeared in autumn 2019 in China, became a global pandemic in a few months. In this work, we looked for the potential anti SARS-Cov 2 of the compounds isolated from three Djiboutian medicinal plants namely Acacia seyal, Cymbopogon commutatus, and Indigofera caerulea. For this we carried out a docking with nine biomolecules, β-Sitosterol , Quercetin, Catechin, Lupeol, Rutin, Kaempferol, Gallic acid, Piperitone and Limonene on three target sites which are SARS-CoV-2 main protease (Mp), SARS-CoV-2 receptor binding domain (RBD) and human furin protease. These targets are chosen because of their role in the process of penetration of the virus into human cells and its multiplication. The phenolic compounds have a very good afinity on these three target sites with binding energies of up to -9.098 kcal/mol for rutin on SARS-CoV-2 Mp, much better than the two reference drugs hydroxychloroquine (-5.816 kcal / mol) and remdesivir (-7.194 kcal/mol). These natural compounds do not present toxicities and can be used pending In vitro and In vivo evaluations.

History

Email Address of Submitting Author

abelfourreh@hotmail.com

Institution

CERD

Country

djibouti

ORCID For Submitting Author

0000-0002-5270-7425

Declaration of Conflict of Interest

no conflict of interest

Version Notes

version 1/2020

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