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Current status of structure-based drug repurposing against COVID-19 by targeting SARS-CoV-2 proteins
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- Hijikata Atsushi
- Faculty of Bioscience, Nagahama Institute of Bio-Science and Technology
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- Shionyu Clara
- Faculty of Bioscience, Nagahama Institute of Bio-Science and Technology
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- Nakae Setsu
- Faculty of Bioscience, Nagahama Institute of Bio-Science and Technology
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- Shionyu Masafumi
- Faculty of Bioscience, Nagahama Institute of Bio-Science and Technology
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- Ota Motonori
- Department of Complex Systems Science, Graduate School of Informatics, Nagoya University
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- Kanaya Shigehiko
- Computational Biology Lab. Division of Information Science, Graduate School of Science and Technology, Nara Institute of Science and Technology (NAIST)
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- Shirai Tsuyoshi
- Faculty of Bioscience, Nagahama Institute of Bio-Science and Technology
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Description
<p>More than one and half years have passed, as of August 2021, since the COVID-19 caused by the novel coronavirus named SARS-CoV-2 emerged in 2019. While the recent success of vaccine developments likely reduces the severe cases, there is still a strong requirement of safety and effective therapeutic drugs for overcoming the unprecedented situation. Here we review the recent progress and the status of the drug discovery against COVID-19 with emphasizing a structure-based perspective. Structural data regarding the SARS-CoV-2 proteome has been rapidly accumulated in the Protein Data Bank, and up to 68% of the total amino acid residues encoded in the genome were covered by the structural data. Despite a global effort of in silico and in vitro screenings for drug repurposing, there is only a limited number of drugs had been successfully authorized by drug regulation organizations. Although many approved drugs and natural compounds, which exhibited antiviral activity in vitro, were considered potential drugs against COVID-19, a further multidisciplinary investigation is required for understanding the mechanisms underlying the antiviral effects of the drugs.</p>
Journal
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- Biophysics and Physicobiology
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Biophysics and Physicobiology 18 (0), 226-240, 2021
The Biophysical Society of Japan
