Application of Acoustic Ejection MS System to High-Throughput Screening for SARS-CoV-2 3CL Protease Inhibitors

Tsukasa Hasegawa; Riyo M. Imamura; Tateki Suzuki; Takao Hashiguchi; Takao Nomura; Satoko Otsuguro; Katsumi Maenaka; Michihito Sasaki; Yasuko Orba; Hirofumi Sawa; Akihiko Sato; Takayoshi Okabe; Tetsuo Nagano; Hirotatsu Kojima

doi:10.1248/cpb.c21-01003

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Application of Acoustic Ejection MS System to High-Throughput Screening for SARS-CoV-2 3CL Protease Inhibitors

Tsukasa Hasegawa, Riyo M. Imamura, Tateki Suzuki, Takao Hashiguchi, Takao Nomura, Satoko Otsuguro, Katsumi Maenaka, Michihito Sasaki, Yasuko Orba, Hirofumi Sawa, Akihiko Sato, Takayoshi Okabe, Tetsuo Nagano, Hirotatsu Kojima

著者情報

Tsukasa Hasegawa
Drug Discovery Initiative, The University of Tokyo
Riyo M. Imamura
Drug Discovery Initiative, The University of Tokyo
Tateki Suzuki
Institute for Frontier Life and Medical Sciences, Kyoto University
Takao Hashiguchi
Institute for Frontier Life and Medical Sciences, Kyoto University
Takao Nomura
Faculty of Pharmaceutical Sciences, Hokkaido University
Satoko Otsuguro
Faculty of Pharmaceutical Sciences, Hokkaido University
Katsumi Maenaka
Faculty of Pharmaceutical Sciences, Hokkaido University
Michihito Sasaki
International Institute for Zoonosis Control, Hokkaido University
Yasuko Orba
International Institute for Zoonosis Control, Hokkaido University
Hirofumi Sawa
International Institute for Zoonosis Control, Hokkaido University
Akihiko Sato
International Institute for Zoonosis Control, Hokkaido University
Drug Discovery and Disease Research Laboratory, Shionogi & Co., Ltd.
Takayoshi Okabe
Drug Discovery Initiative, The University of Tokyo
Tetsuo Nagano
Drug Discovery Initiative, The University of Tokyo
Hirotatsu Kojima 責任著者
Drug Discovery Initiative, The University of Tokyo

キーワード: SARS-CoV-2 3CL protease, Main protease, acoustic ejection mass spectrometry, high-throughput screening, label-free

ジャーナルフリー早期公開

論文ID: c21-01003

DOI https://doi.org/10.1248/cpb.c21-01003

この記事には本公開記事があります。

The final version of this article is now available: Vol. 70 (2022), No. 3 pp. 199-201

詳細

抄録

Mass spectrometry is a powerful methodology for chemical screening to directly quantify substrates and products of enzymes, but its low throughput has been an issue. Recently, an acoustic liquid-handling apparatus (Echo^®) used for rapid nano-dispensing has been coupled to a high-sensitivity mass spectrometer to create the Echo^® MS system, and we applied this system to screening of SARS-CoV-2 3CL protease inhibitors. Primary screening of 32,033 chemical samples was completed in 12 hours. Among the hits showing selective, dose-dependent 3CL-inhibitory activity, 8 compounds showed antiviral activity in cell-based assay.

責任著者(Corresponding author)

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