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Application of fragment-based lead generation to the discovery of novel, cyclic amidine beta-secretase inhibitors with nanomolar potency, cellular activity, and high ligand efficiency.
Edwards PD, Albert JS, Sylvester M, Aharony D, Andisik D, Callaghan O, Campbell JB, Carr RA, Chessari G, Congreve M, Frederickson M, Folmer RH, Geschwindner S, Koether G, Kolmodin K, Krumrine J, Mauger RC, Murray CW, Olsson LL, Patel S, Spear N, Tian G. Edwards PD, et al. Among authors: murray cw. J Med Chem. 2007 Nov 29;50(24):5912-25. doi: 10.1021/jm070829p. Epub 2007 Nov 7. J Med Chem. 2007. PMID: 17985862
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: murray cw. J Med Chem. 2005 Jan 27;48(2):414-26. doi: 10.1021/jm049575n. J Med Chem. 2005. PMID: 15658855
Fragment-based lead discovery using X-ray crystallography.
Hartshorn MJ, Murray CW, Cleasby A, Frederickson M, Tickle IJ, Jhoti H. Hartshorn MJ, et al. Among authors: murray cw. J Med Chem. 2005 Jan 27;48(2):403-13. doi: 10.1021/jm0495778. J Med Chem. 2005. PMID: 15658854
Fragment-based lead discovery: leads by design.
Carr RA, Congreve M, Murray CW, Rees DC. Carr RA, et al. Among authors: murray cw. Drug Discov Today. 2005 Jul 15;10(14):987-92. doi: 10.1016/S1359-6446(05)03511-7. Drug Discov Today. 2005. PMID: 16023057 Review.
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. Among authors: murray cw. J Med Chem. 2010 Aug 26;53(16):5956-69. doi: 10.1021/jm100060b. J Med Chem. 2010. PMID: 20662534
103 results