| Autor: |
Henry Gieseler, David von Stetten, A. Tolstikova, Luca Gelisio, Yaiza Fernández-García, Guillaume Pompidor, Saravanan Panneerselvam, Cromarte Rogers, M. Galchenkova, Juraj Knoska, B. Seychell, Gleb Bourenkov, Ariana Peck, Stephan Niebling, D. Melo, Hévila Brognaro, Russell J. Cox, Rolf Hilgenfeld, W. Brehm, J. Lieske, Matthias Rarey, Aleksandra Usenik, Tobias Beck, Oleksandr Yefanov, Henry N. Chapman, Isabel Bento, C. Schmidt, M. Groessler, Ashwin Chari, Sven Falke, Katarina Karničar, Thomas J. Lane, Beatriz Escudero-Pérez, J. Boger, Bernhard Ellinger, Christian M. Günther, Christiane Ehrt, Markus Wolf, Jure Loboda, Thomas R. Schneider, Andrea Zaliani, P. Lourdu Xavier, Eike C. Schulz, J. Wollenhaupt, Brenna Norton-Baker, Ivars Karpics, Salah Awel, Aida Rahmani Mashhour, Frank Schlünzen, Chufeng Li, Henning Tidow, Robin Schubert, Y. Gevorkov, H. Andaleeb, P. Reinke, Stephan Günther, Christian G. Feiler, Manfred S. Weiss, Jo J. Zaitsev-Doyle, N. Ullah, M. Domaracky, Pontus Fischer, Linlin Zhang, Maria Kuzikov, V. Hennicke, W. Ewert, Faisal Hammad Mekky Koua, P. Gribbon, Xinyuanyuan Sun, Dominik Oberthuer, S. Meier, J. Pletzer-Zelgert, Kristina Lorenzen, Christian Betzel, M. Schwinzer, Bruno Alves Franca, Charlotte Uetrecht, S. Saouane, Pedram Mehrabi, Helen M. Ginn, Andrea R. Beccari, Johanna Hakanpää, Diana C. F. Monteiro, Ilona Dunkel, Janine-Denise Kopicki, Anna Hänle, Miriam Barthelmess, Jan Meyer, Dušan Turk, N. Werner, Thomas A. White, Boris Krichel, Winfried Hinrichs, F. Trost, Sebastian Günther, Filip Guicking, Vasundara Srinivasan, Alke Meents, Gisel E. Peña Murillo, Maria Marta Garcia Alai, Huijong Han, Arwen R. Pearson, Holger Fleckenstein |
| Rok vydání: |
2020 |
| Předmět: |
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| Popis: |
The coronavirus disease (COVID-19) caused by SARS-CoV-2 is creating tremendous health problems and economical challenges for mankind. To date, no effective drug is available to directly treat the disease and prevent virus spreading. In a search for a drug against COVID-19, we have performed a massive X-ray crystallographic screen of two repurposing drug libraries against the SARS-CoV-2 main protease (Mpro), which is essential for the virus replication and, thus, a potent drug target. In contrast to commonly applied X-ray fragment screening experiments with molecules of low complexity, our screen tested already approved drugs and drugs in clinical trials. From the three-dimensional protein structures, we identified 37 compounds binding to Mpro. In subsequent cell-based viral reduction assays, one peptidomimetic and five non-peptidic compounds showed antiviral activity at non-toxic concentrations. We identified two allosteric binding sites representing attractive targets for drug development against SARS-CoV-2. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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