Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors

L. Boby, Melissa; L. Boby, Melissa; Fearon, Daren; Fearon, Daren; Ferla, Matteo; Ferla, Matteo; Filep, Mihajlo; Filep, Mihajlo; Koekemoer, Lizbé; Koekemoer, Lizbé; C. Robinson, Matthew; C. Robinson, Matthew; D. Chodera, John; A. Lee, Alpha; London, Nir; von Delft, Annette; von Delft, F.; Achdout, Hagit; Aimon, A.; S. Alonzi, Dominic; Arbon, Robert; Aschenbrenner, J.C.; Balcomb, Blake; Bar-David, Elad; Barr, Haim; Ben‐Shmuel, Amir; M. Bennett, James; A. Bilenko, Vitaliy; Borden, Bruce; Boulet, Pascale; R. Bowman, Gregory; Brewitz, Lennart; Brun, Juliane; BVNBS, Sarma; Calmiano, Mark; Carbery, Anna; W. Carney, Daniel; Cattermole, Emma; Chang, Edcon; Chernyshenko, Eugene; Clyde, Austin; E. Coffland, Joseph; Cohen, Galit; C. Cole, Jason; Contini, Alessandro; Sanderson Cox, Lisa; I. Croll, Tristan; Cvitkovic, Milan; De Jonghe, Steven; Dias, Alex; Donckers, Kim; Dotson, David; Douangamath, A.; Duberstein, Shirly; Dudgeon, Tim; E. Dunnett, Louise; Eastman, Peter; Erez, Noam; J. Eyermann, Charles; Fairhead, M.; Fate, Gwen; Fedorov, O.; Fernandes, R.S.; Ferrins, Lori; Foster, Richard; Foster, Holly; Fraisse, Laurent; Gabizon, Ronen; García‐Sastre, Adolfo; O. Gawriljuk, Victor; Gehrtz, Paul; Gileadi, C.; Giroud, Charline; G. Glass, William; C. Glen, Robert; Glinert, Itai; S. Godoy, André; V. Gorichko, Marian; Gorrie-Stone, T.J.; Griffen, Ed; Haneef, Amna; Hassell Hart, Storm; Heer, Jag; M. Henry, Michael; L. Hill, Michelle; Horrell, Sam; Yu J. Huang, Qiu; D. Huliak, Victor; F. D. Hurley, Matthew; Israely, Tomer; J. Jajack, Andrew; Jansen, Jitske; Jnoff, Eric; Jochmans, Dirk; John, Tobias; Kaminow, Benjamin; Kang, Lulu; Kantsadi, A.L.; W. Kenny, Peter; L. Kiappes, J.; O. Kinakh, Serhii; Kovar, Boris; Krojer, T.; Ngoc Thuy La, Van; Laghnimi-Hahn, Sophie; A. Lefker, Bruce; Levy, Haim; Lithgo, Ryan; G. Logvinenko, Ivan; Lukacik, Petra; Bruce Macdonald, Hannah; MacLean, Elizabeth; L. Makower, Laetitia; R. Malla, Tika; Marples, Peter; Matviiuk, Tatiana; McCorkindale, Willam; L McGovern, Briana; Melamed, Sharon; P. Melnykov, Kostiantyn; Michurin, Oleg; Miesen, Pascal; Mikolajek, Halina; F. Milne, Bruce; D. L. Minh, David; Morris, Aaron; M. Morris, Garrett; Jane Morwitzer, M.; Moustakas, Demetri; E. Mowbray, Charles; Nakamura, A.M.; Brandão Neto, José; Neyts, Johan; Viet Nguyen, Luong; Noske, G.D.; Oleinikovas, Vladimiras; Oliva, Glaucius; J. Overheul, Gijs; David Owen, C.; Pai, Ruby; Pan, Jin; Paran, Nir; Matthew Payne, Alexander; Perry, Benjamin; Pingle, Maneesh; Pinjari, Jakir; Politi, Boaz; Powell, A.J.; Pšenák, Vladimír; Pulido, Iván; Puni, Reut; Rangel, V.L.; Reddi, Rambabu; Rees, Paul; Patrick Reid, St; Reid, Lauren; Resnick, Efrat; Grace Ripka, Emily; P. Robinson, Ralph; Rodrı́guez-Guerra, Jaime; Rosales, Romel; A. Rufa, Dominic; L. Saar, Kadi; Singh Saikatendu, Kumar; Salah, E.; Schaller, David; Scheen, Jenke; A. Schiffer, Celia; J. Schofield, Christopher; Shafeev, Mikhail; L. Shaikh, Aarif; M. Shaqra, Ala; Shi, Jiye; A. Shurrush, Khriesto; Singh, Sukrit; Sittner, Assa; Sjö, Peter; Skyner, R.; P. Smalley, Adam; Smeets, Bart; Smilova, Mihaela; J. Solmesky, Leonardo; Spencer, John; Strain‐Damerell, Claire; Swamy, Vishwanath; Tamir, Hadas; C. Taylor, Jenny; E. Tennant, Rachael; Thompson, Warren; Thompson, Andrew; Tomásio, Susana; W.E. Tomlinson, Charles; S. Tsurupa, Igor; Tumber, Anthony; Vakonakis, Ioannis; P. van Rij, Ronald; Vangeel, Laura; S. Varghese, Finny; Vaschetto, M.; B. Vitner, Einat; A. Voelz, Vincent; Volkamer, Andrea; Walsh, Martin; H.J. Ward, Walter; Weatherall, Charlie; Weiss, Shay; M. White, Kris; Wild, Conor; D. Witt, Karolina; Wittmann, Matthew; D. Wright, Nathan; Yahalom-Ronen, Yfat; Kurt Yılmaz, Neşe; Zaidmann, Daniel; Zhang, Ivy; Zidane, Hadeer; Zitzmann, Nicole; N. Zvornicanin, Sarah

doi:10.1126/science.abo7201

Public

Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors

Published in Science • Nov 9, 2023

Authors:

Melissa L. Boby

Daren Fearon

Abstract

We report the results of the COVID Moonshot, a fully open-science, crowdsourced, and structure-enabled drug discovery campaign targeting the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) main protease. We discovered a noncovalent, nonpeptidic inhibitor scaffold with lead-like properti...

Subject

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)

Protease

Coronavirus disease 2019 (COVID-19)

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