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Molecular mechanism of anti-SARS-CoV2 activity of Ashwagandha-derived withanolides
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Description
COVID-19 caused by SARS-CoV-2 corona virus has become a global pandemic. In the absence of drugs and vaccine, and premises of time, efforts and cost required for their development, natural resources such as herbs are anticipated to provide some help and may also offer a promising resource for drug development. Here, we have investigated the therapeutic prospective of Ashwagandha for the COVID-19 pandemic. Nine withanolides were tested in silico for their potential to target and inhibit (i) cell surface receptor protein (TMPRSS2) that is required for entry of virus to host cells and (ii) viral protein (the main protease M
Journal
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- International Journal of Biological Macromolecules
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International Journal of Biological Macromolecules 184 297-312, 2021-08-01
Elsevier BV
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Keywords
- Models, Molecular
- Cell Survival
- Plant Extracts
- Protein Conformation
- SARS-CoV-2
- Serine Endopeptidases
- Down-Regulation
- Molecular Dynamics Simulation
- Virus Internalization
- Antiviral Agents
- Cell Line
- Viral Matrix Proteins
- Gene Expression Regulation
- A549 Cells
- MCF-7 Cells
- Humans
- Computer Simulation
- Withanolides