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Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Boby ML, Fearon D, Ferla M, Filep M, Koekemoer L, Robinson MC; COVID Moonshot Consortium‡; Chodera JD, Lee AA, London N, von Delft A, von Delft F, Achdout H, Aimon A, Alonzi DS, Arbon R, Aschenbrenner JC, Balcomb BH, Bar-David E, Barr H, Ben-Shmuel A, Bennett J, Bilenko VA, Borden B, Boulet P, Bowman GR, Brewitz L, Brun J, Bvnbs S, Calmiano M, Carbery A, Carney DW, Cattermole E, Chang E, Chernyshenko E, Clyde A, Coffland JE, Cohen G, Cole JC, Contini A, Cox L, Croll TI, Cvitkovic M, De Jonghe S, Dias A, Donckers K, Dotson DL, Douangamath A, Duberstein S, Dudgeon T, Dunnett LE, Eastman P, Erez N, Eyermann CJ, Fairhead M, Fate G, Fedorov O, Fernandes RS, Ferrins L, Foster R, Foster H, Fraisse L, Gabizon R, García-Sastre A, Gawriljuk VO, Gehrtz P, Gileadi C, Giroud C, Glass WG, Glen RC, Glinert I, Godoy AS, Gorichko M, Gorrie-Stone T, Griffen EJ, Haneef A, Hassell Hart S, Heer J, Henry M, Hill M, Horrell S, Huang QYJ, Huliak VD, Hurley MFD, Israely T, Jajack A, Jansen J, Jnoff E, Jochmans D, John T, Kaminow B, Kang L, Kantsadi AL, Kenny PW, Kiappes JL, Kinakh SO, Kovar B, Krojer T, La VNT, Laghnimi-Hahn S, Lefker BA, Levy H, Lithgo RM, Logvinenko IG, Lukacik P, Macdonald HB, M… See abstract for full author list ➔ Boby ML, et al. Among authors: gabizon r. Science. 2023 Nov 10;382(6671):eabo7201. doi: 10.1126/science.abo7201. Epub 2023 Nov 10. Science. 2023. PMID: 37943932 Free PMC article.
Rapid Covalent-Probe Discovery by Electrophile-Fragment Screening.
Resnick E, Bradley A, Gan J, Douangamath A, Krojer T, Sethi R, Geurink PP, Aimon A, Amitai G, Bellini D, Bennett J, Fairhead M, Fedorov O, Gabizon R, Gan J, Guo J, Plotnikov A, Reznik N, Ruda GF, Díaz-Sáez L, Straub VM, Szommer T, Velupillai S, Zaidman D, Zhang Y, Coker AR, Dowson CG, Barr HM, Wang C, Huber KVM, Brennan PE, Ovaa H, von Delft F, London N. Resnick E, et al. Among authors: gabizon r. J Am Chem Soc. 2019 Jun 5;141(22):8951-8968. doi: 10.1021/jacs.9b02822. Epub 2019 May 22. J Am Chem Soc. 2019. PMID: 31060360 Free PMC article.
Efficient Targeted Degradation via Reversible and Irreversible Covalent PROTACs.
Gabizon R, Shraga A, Gehrtz P, Livnah E, Shorer Y, Gurwicz N, Avram L, Unger T, Aharoni H, Albeck S, Brandis A, Shulman Z, Katz BZ, Herishanu Y, London N. Gabizon R, et al. J Am Chem Soc. 2020 Jul 8;142(27):11734-11742. doi: 10.1021/jacs.9b13907. Epub 2020 May 19. J Am Chem Soc. 2020. PMID: 32369353 Free PMC article.
A Fast and Clean BTK Inhibitor.
Gabizon R, London N. Gabizon R, et al. J Med Chem. 2020 May 28;63(10):5100-5101. doi: 10.1021/acs.jmedchem.0c00597. Epub 2020 May 13. J Med Chem. 2020. PMID: 32401033 Free PMC article. Review.
Hitting KRAS When It's Down.
Gabizon R, London N. Gabizon R, et al. J Med Chem. 2020 Jul 9;63(13):6677-6678. doi: 10.1021/acs.jmedchem.0c00785. Epub 2020 Jun 22. J Med Chem. 2020. PMID: 32568546 Free PMC article.
The rise of covalent proteolysis targeting chimeras.
Gabizon R, London N. Gabizon R, et al. Curr Opin Chem Biol. 2021 Jun;62:24-33. doi: 10.1016/j.cbpa.2020.12.003. Epub 2021 Feb 4. Curr Opin Chem Biol. 2021. PMID: 33549806 Review.
Tunable Methacrylamides for Covalent Ligand Directed Release Chemistry.
Reddi RN, Resnick E, Rogel A, Rao BV, Gabizon R, Goldenberg K, Gurwicz N, Zaidman D, Plotnikov A, Barr H, Shulman Z, London N. Reddi RN, et al. Among authors: gabizon r. J Am Chem Soc. 2021 Apr 7;143(13):4979-4992. doi: 10.1021/jacs.0c10644. Epub 2021 Mar 24. J Am Chem Soc. 2021. PMID: 33761747 Free PMC article.
An automatic pipeline for the design of irreversible derivatives identifies a potent SARS-CoV-2 Mpro inhibitor.
Zaidman D, Gehrtz P, Filep M, Fearon D, Gabizon R, Douangamath A, Prilusky J, Duberstein S, Cohen G, Owen CD, Resnick E, Strain-Damerell C, Lukacik P; Covid-Moonshot Consortium; Barr H, Walsh MA, von Delft F, London N. Zaidman D, et al. Among authors: gabizon r. Cell Chem Biol. 2021 Dec 16;28(12):1795-1806.e5. doi: 10.1016/j.chembiol.2021.05.018. Epub 2021 Jun 25. Cell Chem Biol. 2021. PMID: 34174194 Free PMC article.
Covalent flexible peptide docking in Rosetta.
Tivon B, Gabizon R, Somsen BA, Cossar PJ, Ottmann C, London N. Tivon B, et al. Among authors: gabizon r. Chem Sci. 2021 Jul 12;12(32):10836-10847. doi: 10.1039/d1sc02322e. eCollection 2021 Aug 18. Chem Sci. 2021. PMID: 34476063 Free PMC article.
126 results