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Page 1
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: calmiano m. Science. 2023 Nov 10;382(6671):eabo7201. doi: 10.1126/science.abo7201. Epub 2023 Nov 10. Science. 2023. PMID: 37943932 Free article.
A white-knuckle ride of open COVID drug discovery.
von Delft F, Calmiano M, Chodera J, Griffen E, Lee A, London N, Matviuk T, Perry B, Robinson M, von Delft A. von Delft F, et al. Among authors: calmiano m. Nature. 2021 Jun;594(7863):330-332. doi: 10.1038/d41586-021-01571-1. Nature. 2021. PMID: 34127864 No abstract available.
Structure-based virtual screening for novel ligands.
Pitt WR, Calmiano MD, Kroeplien B, Taylor RD, Turner JP, King MA. Pitt WR, et al. Among authors: calmiano md. Methods Mol Biol. 2013;1008:501-19. doi: 10.1007/978-1-62703-398-5_19. Methods Mol Biol. 2013. PMID: 23729265
Discovery of a Potent, Orally Bioavailable PI4KIIIβ Inhibitor (UCB9608) Able To Significantly Prolong Allogeneic Organ Engraftment in Vivo.
Reuberson J, Horsley H, Franklin RJ, Ford D, Neuss J, Brookings D, Huang Q, Vanderhoydonck B, Gao LJ, Jang MY, Herdewijn P, Ghawalkar A, Fallah-Arani F, Khan AR, Henshall J, Jairaj M, Malcolm S, Ward E, Shuttleworth L, Lin Y, Li S, Louat T, Waer M, Herman J, Payne A, Ceska T, Doyle C, Pitt W, Calmiano M, Augustin M, Steinbacher S, Lammens A, Allen R. Reuberson J, et al. Among authors: calmiano m. J Med Chem. 2018 Aug 9;61(15):6705-6723. doi: 10.1021/acs.jmedchem.8b00521. Epub 2018 Jul 19. J Med Chem. 2018. PMID: 29952567
Discovery of a novel series of quinoxalines as inhibitors of c-Met kinase.
Porter J, Lumb S, Lecomte F, Reuberson J, Foley A, Calmiano M, le Riche K, Edwards H, Delgado J, Franklin RJ, Gascon-Simorte JM, Maloney A, Meier C, Batchelor M. Porter J, et al. Among authors: calmiano m. Bioorg Med Chem Lett. 2009 Jan 15;19(2):397-400. doi: 10.1016/j.bmcl.2008.11.062. Epub 2008 Nov 21. Bioorg Med Chem Lett. 2009. PMID: 19059779
Discovery of 4-azaindoles as novel inhibitors of c-Met kinase.
Porter J, Lumb S, Franklin RJ, Gascon-Simorte JM, Calmiano M, Riche KL, Lallemand B, Keyaerts J, Edwards H, Maloney A, Delgado J, King L, Foley A, Lecomte F, Reuberson J, Meier C, Batchelor M. Porter J, et al. Among authors: calmiano m. Bioorg Med Chem Lett. 2009 May 15;19(10):2780-4. doi: 10.1016/j.bmcl.2009.03.110. Epub 2009 Mar 27. Bioorg Med Chem Lett. 2009. PMID: 19369077