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Repurposed drugs and nutraceuticals targeting envelope protein: A possible therapeutic strategy against COVID-19.

ABSTRACT: COVID-19 pandemic caused by SARS-CoV-2 has already claimed millions of lives worldwide due to the absence of a suitable anti-viral therapy. The CoV envelope (E) protein, which has not received much attention so far, is a 75 amino acid long integral membrane protein involved in assembly and release of the virus inside the host. Here we have used artificial intelligence (AI) and pattern recognition techniques for initial screening of FDA approved pharmaceuticals and nutraceuticals to target this E protein. Subsequently, molecular docking simulations have been performed between the ligands and target protein to screen a set of 9 ligand molecules. Finally, we have provided detailed insight into their mechanisms of action related to the varied symptoms of infected patients.

SUBMITTER: Das G

PROVIDER: S-EPMC7661923 | biostudies-literature | 2021 Jan

REPOSITORIES: biostudies-literature

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Repurposed drugs and nutraceuticals targeting envelope protein: A possible therapeutic strategy against COVID-19.

Das Gourab G Das Troyee T Chowdhury Nilkanta N Chatterjee Durbadal D Bagchi Angshuman A Ghosh Zhumur Z

Genomics 20201113 1 Pt 2

COVID-19 pandemic caused by SARS-CoV-2 has already claimed millions of lives worldwide due to the absence of a suitable anti-viral therapy. The CoV envelope (E) protein, which has not received much attention so far, is a 75 amino acid long integral membrane protein involved in assembly and release of the virus inside the host. Here we have used artificial intelligence (AI) and pattern recognition techniques for initial screening of FDA approved pharmaceuticals and nutraceuticals to target this E ...[more]

PMID: 33189776

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