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Discovery and characterization of a cell-permeable, small-molecule c-Abl kinase activator that binds to the myristoyl binding site.
Yang J, Campobasso N, Biju MP, Fisher K, Pan XQ, Cottom J, Galbraith S, Ho T, Zhang H, Hong X, Ward P, Hofmann G, Siegfried B, Zappacosta F, Washio Y, Cao P, Qu J, Bertrand S, Wang DY, Head MS, Li H, Moores S, Lai Z, Johanson K, Burton G, Erickson-Miller C, Simpson G, Tummino P, Copeland RA, Oliff A. Yang J, et al. Among authors: simpson g. Chem Biol. 2011 Feb 25;18(2):177-86. doi: 10.1016/j.chembiol.2010.12.013. Chem Biol. 2011. PMID: 21338916
Structure-guided optimization of small molecule c-Abl activators.
Hong X, Cao P, Washio Y, Simpson G, Campobasso N, Yang J, Borthwick J, Burton G, Chabanet J, Bertrand S, Evans H, Young RJ, Qu J, Li H, Cottom J, Ward P, Zhang H, Ho T, Qin D, Christensen S, Head MS. Hong X, et al. Among authors: simpson g. J Comput Aided Mol Des. 2014 Feb;28(2):75-87. doi: 10.1007/s10822-014-9731-5. Epub 2014 Feb 27. J Comput Aided Mol Des. 2014. PMID: 24573412 Free PMC article.
Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
Simpson GL, Bertrand SM, Borthwick JA, Campobasso N, Chabanet J, Chen S, Coggins J, Cottom J, Christensen SB, Dawson HC, Evans HL, Hobbs AN, Hong X, Mangatt B, Munoz-Muriedas J, Oliff A, Qin D, Scott-Stevens P, Ward P, Washio Y, Yang J, Young RJ. Simpson GL, et al. J Med Chem. 2019 Feb 28;62(4):2154-2171. doi: 10.1021/acs.jmedchem.8b01872. Epub 2019 Feb 11. J Med Chem. 2019. PMID: 30689376
The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits.
Bertrand SM, Ancellin N, Beaufils B, Bingham RP, Borthwick JA, Boullay AB, Boursier E, Carter PS, Chung CW, Churcher I, Dodic N, Fouchet MH, Fournier C, Francis PL, Gummer LA, Herry K, Hobbs A, Hobbs CI, Homes P, Jamieson C, Nicodeme E, Pickett SD, Reid IH, Simpson GL, Sloan LA, Smith SE, Somers DO, Spitzfaden C, Suckling CJ, Valko K, Washio Y, Young RJ. Bertrand SM, et al. J Med Chem. 2015 Sep 24;58(18):7140-63. doi: 10.1021/acs.jmedchem.5b00313. Epub 2015 Jul 2. J Med Chem. 2015. PMID: 26090771
In Vivo Half-Life Extension of BMP1/TLL Metalloproteinase Inhibitors Using Small-Molecule Human Serum Albumin Binders.
Vantourout JC, Mason AM, Yuen J, Simpson GL, Evindar G, Kuai L, Hobbs M, Edgar E, Needle S, Bai X, Wilson S, Scott-Stevens P, Traylen W, Lambert K, Young N, Bunally S, Summerfield SG, Snell R, Lad R, Shi E, Skinner S, Shewchuk L, Watson AJB, Chung CW, Pal S, Holt DA, Kallander LS, Prendergast J, Rivera K, Washburn DG, Harpel MR, Arico-Muendel C, Isidro-Llobet A. Vantourout JC, et al. Among authors: simpson gl. Bioconjug Chem. 2021 Feb 17;32(2):279-289. doi: 10.1021/acs.bioconjchem.0c00662. Epub 2021 Feb 1. Bioconjug Chem. 2021. PMID: 33523652
DNA-Encoded Macrocyclic Peptide Library.
Zhu Z, Shaginian A, Grady SC, Davie CP, Lind K, Pal S, Thansandote P, Simpson GL. Zhu Z, et al. Methods Mol Biol. 2019;2001:273-284. doi: 10.1007/978-1-4939-9504-2_12. Methods Mol Biol. 2019. PMID: 31134575
Design and Application of a DNA-Encoded Macrocyclic Peptide Library.
Zhu Z, Shaginian A, Grady LC, O'Keeffe T, Shi XE, Davie CP, Simpson GL, Messer JA, Evindar G, Bream RN, Thansandote PP, Prentice NR, Mason AM, Pal S. Zhu Z, et al. Among authors: simpson gl. ACS Chem Biol. 2018 Jan 19;13(1):53-59. doi: 10.1021/acschembio.7b00852. Epub 2017 Dec 4. ACS Chem Biol. 2018. PMID: 29185700
1,363 results