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Items: 1 to 50 of 87

1.

An Lkb1-Sik axis suppresses lung tumor growth and controls differentiation.

Murray CW, Brady JJ, Tsai MK, Li C, Winters IP, Tang R, Andrejka L, Ma RK, Kunder CA, Chu P, Winslow MM.

Cancer Discov. 2019 Jul 26. pii: CD-18-1237. doi: 10.1158/2159-8290.CD-18-1237. [Epub ahead of print]

PMID:
31350327
2.

Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.

O'Reilly M, Cleasby A, Davies TG, Hall RJ, Ludlow RF, Murray CW, Tisi D, Jhoti H.

Drug Discov Today. 2019 May;24(5):1081-1086. doi: 10.1016/j.drudis.2019.03.009. Epub 2019 Mar 14.

3.

Publisher Correction: Towards quantitative and multiplexed in vivo functional cancer genomics.

Winters IP, Murray CW, Winslow MM.

Nat Rev Genet. 2018 Dec;19(12):801. doi: 10.1038/s41576-018-0062-6.

PMID:
30327497
4.

Towards quantitative and multiplexed in vivo functional cancer genomics.

Winters IP, Murray CW, Winslow MM.

Nat Rev Genet. 2018 Dec;19(12):741-755. doi: 10.1038/s41576-018-0053-7. Review. Erratum in: Nat Rev Genet. 2018 Oct 16;:.

PMID:
30267031
5.

Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.

Heightman TD, Berdini V, Braithwaite H, Buck IM, Cassidy M, Castro J, Courtin A, Day JEH, East C, Fazal L, Graham B, Griffiths-Jones CM, Lyons JF, Martins V, Muench S, Munck JM, Norton D, O'Reilly M, Palmer N, Pathuri P, Reader M, Rees DC, Rich SJ, Richardson C, Saini H, Thompson NT, Wallis NG, Walton H, Wilsher NE, Woolford AJ, Cooke M, Cousin D, Onions S, Shannon J, Watts J, Murray CW.

J Med Chem. 2018 Jun 14;61(11):4978-4992. doi: 10.1021/acs.jmedchem.8b00421. Epub 2018 May 31.

PMID:
29775310
6.

The Fragment Network: A Chemistry Recommendation Engine Built Using a Graph Database.

Hall RJ, Murray CW, Verdonk ML.

J Med Chem. 2017 Jul 27;60(14):6440-6450. doi: 10.1021/acs.jmedchem.7b00809. Epub 2017 Jul 15.

PMID:
28712298
7.

Predicting "Hot" and "Warm" Spots for Fragment Binding.

Rathi PC, Ludlow RF, Hall RJ, Murray CW, Mortenson PN, Verdonk ML.

J Med Chem. 2017 May 11;60(9):4036-4046. doi: 10.1021/acs.jmedchem.7b00366. Epub 2017 Apr 21.

PMID:
28376303
8.

Discovery and Pharmacological Characterization of JNJ-42756493 (Erdafitinib), a Functionally Selective Small-Molecule FGFR Family Inhibitor.

Perera TPS, Jovcheva E, Mevellec L, Vialard J, De Lange D, Verhulst T, Paulussen C, Van De Ven K, King P, Freyne E, Rees DC, Squires M, Saxty G, Page M, Murray CW, Gilissen R, Ward G, Thompson NT, Newell DR, Cheng N, Xie L, Yang J, Platero SJ, Karkera JD, Moy C, Angibaud P, Laquerre S, Lorenzi MV.

Mol Cancer Ther. 2017 Jun;16(6):1010-1020. doi: 10.1158/1535-7163.MCT-16-0589. Epub 2017 Mar 24.

9.

Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).

Woolford AJ, Day PJ, Bénéton V, Berdini V, Coyle JE, Dudit Y, Grondin P, Huet P, Lee LY, Manas ES, McMenamin RL, Murray CW, Page LW, Patel VK, Potvain F, Rich SJ, Sang Y, Somers DO, Trottet L, Wan Z, Zhang X.

J Med Chem. 2016 Dec 8;59(23):10738-10749. Epub 2016 Nov 18.

PMID:
27933945
10.

Fragment-to-Lead Medicinal Chemistry Publications in 2015.

Johnson CN, Erlanson DA, Murray CW, Rees DC.

J Med Chem. 2017 Jan 12;60(1):89-99. doi: 10.1021/acs.jmedchem.6b01123. Epub 2016 Oct 14. Review.

PMID:
27739691
11.

Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.

Woolford AJ, Pero JE, Aravapalli S, Berdini V, Coyle JE, Day PJ, Dodson AM, Grondin P, Holding FP, Lee LY, Li P, Manas ES, Marino J Jr, Martin AC, McCleland BW, McMenamin RL, Murray CW, Neipp CE, Page LW, Patel VK, Potvain F, Rich S, Rivero RA, Smith K, Somers DO, Trottet L, Velagaleti R, Williams G, Xie R.

J Med Chem. 2016 Jun 9;59(11):5356-67. doi: 10.1021/acs.jmedchem.6b00212. Epub 2016 May 20.

PMID:
27167608
12.

An Arntl2-Driven Secretome Enables Lung Adenocarcinoma Metastatic Self-Sufficiency.

Brady JJ, Chuang CH, Greenside PG, Rogers ZN, Murray CW, Caswell DR, Hartmann U, Connolly AJ, Sweet-Cordero EA, Kundaje A, Winslow MM.

Cancer Cell. 2016 May 9;29(5):697-710. doi: 10.1016/j.ccell.2016.03.003. Epub 2016 Apr 14.

13.

Design Principles for Fragment Libraries: Maximizing the Value of Learnings from Pharma Fragment-Based Drug Discovery (FBDD) Programs for Use in Academia.

Keserű GM, Erlanson DA, Ferenczy GG, Hann MM, Murray CW, Pickett SD.

J Med Chem. 2016 Sep 22;59(18):8189-206. doi: 10.1021/acs.jmedchem.6b00197. Epub 2016 May 16.

PMID:
27124799
14.

Opportunity Knocks: Organic Chemistry for Fragment-Based Drug Discovery (FBDD).

Murray CW, Rees DC.

Angew Chem Int Ed Engl. 2016 Jan 11;55(2):488-92. doi: 10.1002/anie.201506783. Epub 2015 Nov 3. No abstract available.

PMID:
26526786
15.

Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.

Murray CW, Berdini V, Buck IM, Carr ME, Cleasby A, Coyle JE, Curry JE, Day JE, Day PJ, Hearn K, Iqbal A, Lee LY, Martins V, Mortenson PN, Munck JM, Page LW, Patel S, Roomans S, Smith K, Tamanini E, Saxty G.

ACS Med Chem Lett. 2015 Jun 4;6(7):798-803. doi: 10.1021/acsmedchemlett.5b00143. eCollection 2015 Jul 9.

16.

Efficient exploration of chemical space by fragment-based screening.

Hall RJ, Mortenson PN, Murray CW.

Prog Biophys Mol Biol. 2014 Nov-Dec;116(2-3):82-91. doi: 10.1016/j.pbiomolbio.2014.09.007. Epub 2014 Sep 28. Review.

PMID:
25268064
17.

Validity of ligand efficiency metrics.

Murray CW, Erlanson DA, Hopkins AL, Keserü GM, Leeson PD, Rees DC, Reynolds CH, Richmond NJ.

ACS Med Chem Lett. 2014 May 9;5(6):616-8. doi: 10.1021/ml500146d. eCollection 2014 Jun 12.

18.

Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.

Saalau-Bethell SM, Berdini V, Cleasby A, Congreve M, Coyle JE, Lock V, Murray CW, O'Brien MA, Rich SJ, Sambrook T, Vinkovic M, Yon JR, Jhoti H.

ChemMedChem. 2014 Apr;9(4):823-32. doi: 10.1002/cmdc.201300480. Epub 2014 Feb 24.

19.

The 'rule of three' for fragment-based drug discovery: where are we now?

Jhoti H, Williams G, Rees DC, Murray CW.

Nat Rev Drug Discov. 2013 Aug;12(8):644-5. doi: 10.1038/nrd3926-c1. Epub 2013 Jul 12. No abstract available.

PMID:
23845999
20.

Comorbidities in patients with irritable bowel syndrome with constipation or chronic idiopathic constipation: a review of the literature from the past decade.

Nellesen D, Chawla A, Oh DL, Weissman T, Lavins BJ, Murray CW.

Postgrad Med. 2013 Mar;125(2):40-50. doi: 10.3810/pgm.2013.03.2640. Review.

PMID:
23816770
21.

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.

Nat Chem Biol. 2012 Nov;8(11):920-5. doi: 10.1038/nchembio.1081. Epub 2012 Sep 30.

22.

Experiences in fragment-based drug discovery.

Murray CW, Verdonk ML, Rees DC.

Trends Pharmacol Sci. 2012 May;33(5):224-32. doi: 10.1016/j.tips.2012.02.006. Epub 2012 Mar 27.

PMID:
22459076
23.

Docking performance of fragments and druglike compounds.

Verdonk ML, Giangreco I, Hall RJ, Korb O, Mortenson PN, Murray CW.

J Med Chem. 2011 Aug 11;54(15):5422-31. doi: 10.1021/jm200558u. Epub 2011 Jul 6.

PMID:
21692478
24.

Assessing the lipophilicity of fragments and early hits.

Mortenson PN, Murray CW.

J Comput Aided Mol Des. 2011 Jul;25(7):663-7. doi: 10.1007/s10822-011-9435-z. Epub 2011 May 26.

PMID:
21614595
25.

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.

J Med Chem. 2010 Aug 26;53(16):5942-55. doi: 10.1021/jm100059d.

PMID:
20718493
26.

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.

J Med Chem. 2010 Aug 26;53(16):5956-69. doi: 10.1021/jm100060b.

PMID:
20662534
27.

Structural biology in fragment-based drug design.

Murray CW, Blundell TL.

Curr Opin Struct Biol. 2010 Aug;20(4):497-507. doi: 10.1016/j.sbi.2010.04.003. Epub 2010 May 12. Review.

PMID:
20471246
28.

The rise of fragment-based drug discovery.

Murray CW, Rees DC.

Nat Chem. 2009 Jun;1(3):187-92. doi: 10.1038/nchem.217. Review.

PMID:
21378847
29.

Protein-ligand docking against non-native protein conformers.

Verdonk ML, Mortenson PN, Hall RJ, Hartshorn MJ, Murray CW.

J Chem Inf Model. 2008 Nov;48(11):2214-25. doi: 10.1021/ci8002254.

PMID:
18954138
30.

US Food and Drug Administration's Total Diet Study: dietary intake of perchlorate and iodine.

Murray CW, Egan SK, Kim H, Beru N, Bolger PM.

J Expo Sci Environ Epidemiol. 2008 Nov;18(6):571-80. doi: 10.1038/sj.jes.7500648. Epub 2008 Jan 2.

PMID:
18167505
31.

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.

J Med Chem. 2007 Nov 29;50(24):5912-25. Epub 2007 Nov 7.

PMID:
17985862
32.

Investigation of the terminal P4 domain in a series of D-phenylglycinamide-based factor Xa inhibitors.

Franciskovich JB, Masters JJ, Weber WW, Klimkowski VJ, Chouinard M, Sipes PR, Johnson LM, Snyder DW, Chastain MK, Craft TJ, Towner RD, Gifford-Moore DS, Froelich LL, Smallwood JK, Foster RS, Smith GF, Liebeschuetz JW, Murray CW, Young SC.

Bioorg Med Chem Lett. 2007 Dec 15;17(24):6910-3. Epub 2007 Oct 24.

PMID:
17976987
33.

Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase.

Congreve M, Aharony D, Albert J, Callaghan O, Campbell J, Carr RA, Chessari G, Cowan S, Edwards PD, Frederickson M, McMenamin R, Murray CW, Patel S, Wallis N.

J Med Chem. 2007 Mar 22;50(6):1124-32. Epub 2007 Feb 22.

PMID:
17315857
34.

Application of fragment screening by X-ray crystallography to beta-secretase.

Murray CW, Callaghan O, Chessari G, Cleasby A, Congreve M, Frederickson M, Hartshorn MJ, McMenamin R, Patel S, Wallis N.

J Med Chem. 2007 Mar 22;50(6):1116-23. Epub 2007 Feb 22.

PMID:
17315856
35.

Diverse, high-quality test set for the validation of protein-ligand docking performance.

Hartshorn MJ, Verdonk ML, Chessari G, Brewerton SC, Mooij WT, Mortenson PN, Murray CW.

J Med Chem. 2007 Feb 22;50(4):726-41.

PMID:
17300160
36.

Legibility of doctors' handwriting is as good (or bad) as everyone else's.

Schneider KA, Murray CW, Shadduck RD, Meyers DG.

Qual Saf Health Care. 2006 Dec;15(6):445. No abstract available.

37.

Application of fragment screening and fragment linking to the discovery of novel thrombin inhibitors.

Howard N, Abell C, Blakemore W, Chessari G, Congreve M, Howard S, Jhoti H, Murray CW, Seavers LC, van Montfort RL.

J Med Chem. 2006 Feb 23;49(4):1346-55.

PMID:
16480269
38.

Modeling water molecules in protein-ligand docking using GOLD.

Verdonk ML, Chessari G, Cole JC, Hartshorn MJ, Murray CW, Nissink JW, Taylor RD, Taylor R.

J Med Chem. 2005 Oct 6;48(20):6504-15.

PMID:
16190776
39.

Response to: identification of an immunogenic candidate for the elicitation of severe acute inflammatory reactions (SAIRs) to hylan G-F 20.

Burns JW, Kraines JL, Magilavy DB, Murray CW, Richards SM.

Osteoarthritis Cartilage. 2005 Dec;13(12):1128-9; author reply 1130-1. Epub 2005 Sep 13. No abstract available.

40.

Fragment-based lead discovery: leads by design.

Carr RA, Congreve M, Murray CW, Rees DC.

Drug Discov Today. 2005 Jul 15;10(14):987-92. Review.

PMID:
16023057
41.

Open for business. Interview by Joyce Jensen.

Murray CW, Faley K, Eudes J.

Mark Health Serv. 2005 Summer;25(2):38-42. No abstract available.

PMID:
16001758
42.

Structural biology and drug discovery.

Congreve M, Murray CW, Blundell TL.

Drug Discov Today. 2005 Jul 1;10(13):895-907. Review.

PMID:
15993809
43.

Comparing protein-ligand docking programs is difficult.

Cole JC, Murray CW, Nissink JW, Taylor RD, Taylor R.

Proteins. 2005 Aug 15;60(3):325-32. Review.

PMID:
15937897
44.

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.

J Med Chem. 2005 Jan 27;48(2):414-26.

PMID:
15658855
45.

Fragment-based lead discovery using X-ray crystallography.

Hartshorn MJ, Murray CW, Cleasby A, Frederickson M, Tickle IJ, Jhoti H.

J Med Chem. 2005 Jan 27;48(2):403-13.

PMID:
15658854
46.

Prediction of binding modes for ligands in the cytochromes P450 and other heme-containing proteins.

Kirton SB, Murray CW, Verdonk ML, Taylor RD.

Proteins. 2005 Mar 1;58(4):836-44.

PMID:
15651036
47.

Death certificate completion: how well are physicians trained and are cardiovascular causes overstated?

Lakkireddy DR, Gowda MS, Murray CW, Basarakodu KR, Vacek JL.

Am J Med. 2004 Oct 1;117(7):492-8.

PMID:
15464706
48.

Apo and inhibitor complex structures of BACE (beta-secretase).

Patel S, Vuillard L, Cleasby A, Murray CW, Yon J.

J Mol Biol. 2004 Oct 15;343(2):407-16.

PMID:
15451669
49.

Fragment-based lead discovery.

Rees DC, Congreve M, Murray CW, Carr R.

Nat Rev Drug Discov. 2004 Aug;3(8):660-72. Review. No abstract available.

PMID:
15286733
50.

Virtual screening using protein-ligand docking: avoiding artificial enrichment.

Verdonk ML, Berdini V, Hartshorn MJ, Mooij WT, Murray CW, Taylor RD, Watson P.

J Chem Inf Comput Sci. 2004 May-Jun;44(3):793-806.

PMID:
15154744

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