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Moroccan Medicinal plants as inhibitors of COVID-19: Computational investigations

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posted on 2020-04-20, 07:37 authored by I. Aanouz, A. Belhassan, K. El Khatabi, T. Lakhlifi, M. El Idrissi, M. Bouachrine

The new Corona-virus, recently called the severe acute respiratory syndrome Coronavirus (SARS-CoV-2) appears for the first time in China and more precisely in Wuhan.

Natural herbal remedies have long been the main, if not the only, remedy in the oral tradition for treating illnesses. Modern medicine has known its success thanks to traditional medicine, the effectiveness of which derives from medicinal plants.

The objective of this study is to determine if the components of natural origin have an anti-viral effect and which can prevent humans from infection by this coronavirus using the most reliable method is molecular docking which used to find an interaction between the molecules studied and the protein, in our case we based on the inhibitor Coronavirus (nCoV-2019) spike protein.

The results of molecular docking showed that among 67 molecules of natural origin, three molecules (Crocin, Digitoxigenin, and β-Eudesmol) which are proposed as inhibitors against the coronavirus based on the energy of interaction between these molecules and studied protein.

Highlights

- Determine natural compounds that can have an anti-viral effect and which can prevent humans from infection by this coronavirus;

- Molecular docking to find interaction between the molecules studied and the receptor of COVID-19;

- The synthesis of these molecules and the evaluation of their in vitro activity against SARS-Cov-2 could be interesting.

- Determine natural compounds that can have an anti-viral effect and which can prevent humans from infection by this coronavirus;

- Molecular docking to find interaction between the molecules studied and the receptor of COVID-19;

- The synthesis of these molecules and the evaluation of their in vitro activity against SARS-Cov-2 could be interesting.

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    Journal of Biomolecular Structure and Dynamics

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