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Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
Day JEH, Berdini V, Castro J, Chessari G, Davies TG, Day PJ, St Denis JD, Fujiwara H, Fukaya S, Hamlett CCF, Hearn K, Hiscock SD, Holvey RS, Ito S, Kandola N, Kodama Y, Liebeschuetz JW, Martins V, Matsuo K, Mortenson PN, Muench S, Nakatsuru Y, Ochiiwa H, Palmer N, Peakman T, Price A, Reader M, Rees DC, Rich SJ, Shah A, Shibata Y, Smyth T, Twigg DG, Wallis NG, Williams G, Wilsher NE, Woodhead A, Shimamura T, Johnson CN. Day JEH, et al. Among authors: woodhead a. J Med Chem. 2024 Mar 28;67(6):4655-4675. doi: 10.1021/acs.jmedchem.3c02118. Epub 2024 Mar 10. J Med Chem. 2024. PMID: 38462716
Recent developments in fragment-based drug discovery.
Congreve M, Chessari G, Tisi D, Woodhead AJ. Congreve M, et al. J Med Chem. 2008 Jul 10;51(13):3661-80. doi: 10.1021/jm8000373. Epub 2008 May 6. J Med Chem. 2008. PMID: 18457385 Review. No abstract available.
Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
Woodhead AJ, Angove H, Carr MG, Chessari G, Congreve M, Coyle JE, Cosme J, Graham B, Day PJ, Downham R, Fazal L, Feltell R, Figueroa E, Frederickson M, Lewis J, McMenamin R, Murray CW, O'Brien MA, Parra L, Patel S, Phillips T, Rees DC, Rich S, Smith DM, Trewartha G, Vinkovic M, Williams B, Woolford AJ. Woodhead AJ, et al. J Med Chem. 2010 Aug 26;53(16):5956-69. doi: 10.1021/jm100060b. J Med Chem. 2010. PMID: 20662534
Fragment-based drug discovery applied to Hsp90. Discovery of two lead series with high ligand efficiency.
Murray CW, Carr MG, Callaghan O, Chessari G, Congreve M, Cowan S, Coyle JE, Downham R, Figueroa E, Frederickson M, Graham B, McMenamin R, O'Brien MA, Patel S, Phillips TR, Williams G, Woodhead AJ, Woolford AJ. Murray CW, et al. Among authors: woodhead aj. J Med Chem. 2010 Aug 26;53(16):5942-55. doi: 10.1021/jm100059d. J Med Chem. 2010. PMID: 20718493
Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function.
Saalau-Bethell SM, Woodhead AJ, Chessari G, Carr MG, Coyle J, Graham B, Hiscock SD, Murray CW, Pathuri P, Rich SJ, Richardson CJ, Williams PA, Jhoti H. Saalau-Bethell SM, et al. Among authors: woodhead aj. Nat Chem Biol. 2012 Nov;8(11):920-5. doi: 10.1038/nchembio.1081. Epub 2012 Sep 30. Nat Chem Biol. 2012. PMID: 23023261 Free PMC article.
Fragment-to-Lead Medicinal Chemistry Publications in 2022.
Woodhead AJ, Erlanson DA, de Esch IJP, Holvey RS, Jahnke W, Pathuri P. Woodhead AJ, et al. J Med Chem. 2024 Feb 22;67(4):2287-2304. doi: 10.1021/acs.jmedchem.3c02070. Epub 2024 Jan 30. J Med Chem. 2024. PMID: 38289623 Review.
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a novel cyclin dependent kinase inhibitor using fragment-based X-ray crystallography and structure based drug design.
Wyatt PG, Woodhead AJ, Berdini V, Boulstridge JA, Carr MG, Cross DM, Davis DJ, Devine LA, Early TR, Feltell RE, Lewis EJ, McMenamin RL, Navarro EF, O'Brien MA, O'Reilly M, Reule M, Saxty G, Seavers LC, Smith DM, Squires MS, Trewartha G, Walker MT, Woolford AJ. Wyatt PG, et al. Among authors: woodhead aj. J Med Chem. 2008 Aug 28;51(16):4986-99. doi: 10.1021/jm800382h. Epub 2008 Jul 26. J Med Chem. 2008. PMID: 18656911
Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation.
Gill AL, Frederickson M, Cleasby A, Woodhead SJ, Carr MG, Woodhead AJ, Walker MT, Congreve MS, Devine LA, Tisi D, O'Reilly M, Seavers LC, Davis DJ, Curry J, Anthony R, Padova A, Murray CW, Carr RA, Jhoti H. Gill AL, et al. Among authors: woodhead aj, woodhead sj. J Med Chem. 2005 Jan 27;48(2):414-26. doi: 10.1021/jm049575n. J Med Chem. 2005. PMID: 15658855
Fragment-to-Lead Medicinal Chemistry Publications in 2021.
Walsh L, Erlanson DA, de Esch IJP, Jahnke W, Woodhead A, Wren E. Walsh L, et al. Among authors: woodhead a. J Med Chem. 2023 Jan 26;66(2):1137-1156. doi: 10.1021/acs.jmedchem.2c01827. Epub 2023 Jan 9. J Med Chem. 2023. PMID: 36622056 Review.
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