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Items: 39

1.

Donated chemical probes for open science.

Müller S, Ackloo S, Arrowsmith CH, Bauser M, Baryza JL, Blagg J, Böttcher J, Bountra C, Brown PJ, Bunnage ME, Carter AJ, Damerell D, Dötsch V, Drewry DH, Edwards AM, Edwards J, Elkins JM, Fischer C, Frye SV, Gollner A, Grimshaw CE, IJzerman A, Hanke T, Hartung IV, Hitchcock S, Howe T, Hughes TV, Laufer S, Li VM, Liras S, Marsden BD, Matsui H, Mathias J, O'Hagan RC, Owen DR, Pande V, Rauh D, Rosenberg SH, Roth BL, Schneider NS, Scholten C, Singh Saikatendu K, Simeonov A, Takizawa M, Tse C, Thompson PR, Treiber DK, Viana AY, Wells CI, Willson TM, Zuercher WJ, Knapp S, Mueller-Fahrnow A.

Elife. 2018 Apr 20;7. pii: e34311. doi: 10.7554/eLife.34311.

2.

Applications of chemogenomic library screening in drug discovery.

Jones LH, Bunnage ME.

Nat Rev Drug Discov. 2017 Apr;16(4):285-296. doi: 10.1038/nrd.2016.244. Epub 2017 Jan 20. Review.

PMID:
28104905
3.

Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists.

Liu S, Dakin LA, Xing L, Withka JM, Sahasrabudhe PV, Li W, Banker ME, Balbo P, Shanker S, Chrunyk BA, Guo Z, Chen JM, Young JA, Bai G, Starr JT, Wright SW, Bussenius J, Tan S, Gopalsamy A, Lefker BA, Vincent F, Jones LH, Xu H, Hoth LR, Geoghegan KF, Qiu X, Bunnage ME, Thorarensen A.

Sci Rep. 2016 Aug 16;6:30859. doi: 10.1038/srep30859.

4.

Identification of a Chemical Probe for Family VIII Bromodomains through Optimization of a Fragment Hit.

Gerstenberger BS, Trzupek JD, Tallant C, Fedorov O, Filippakopoulos P, Brennan PE, Fedele V, Martin S, Picaud S, Rogers C, Parikh M, Taylor A, Samas B, O'Mahony A, Berg E, Pallares G, Torrey AD, Treiber DK, Samardjiev IJ, Nasipak BT, Padilla-Benavides T, Wu Q, Imbalzano AN, Nickerson JA, Bunnage ME, Müller S, Knapp S, Owen DR.

J Med Chem. 2016 May 26;59(10):4800-11. doi: 10.1021/acs.jmedchem.6b00012. Epub 2016 May 3.

5.

Selective targeting of the BRG/PB1 bromodomains impairs embryonic and trophoblast stem cell maintenance.

Fedorov O, Castex J, Tallant C, Owen DR, Martin S, Aldeghi M, Monteiro O, Filippakopoulos P, Picaud S, Trzupek JD, Gerstenberger BS, Bountra C, Willmann D, Wells C, Philpott M, Rogers C, Biggin PC, Brennan PE, Bunnage ME, Schüle R, Günther T, Knapp S, Müller S.

Sci Adv. 2015 Nov 13;1(10):e1500723. doi: 10.1126/sciadv.1500723. eCollection 2015 Nov.

6.

Corrigendum: The promise and peril of chemical probes.

Arrowsmith CH, Audia JE, Austin C, Baell J, Bennett J, Blagg J, Bountra C, Brennan PE, Brown PJ, Bunnage ME, Buser-Doepner C, Campbell RM, Carter AJ, Cohen P, Copeland RA, Cravatt B, Dahlin JL, Dhanak D, Edwards AM, Frederiksen M, Frye SV, Gray N, Grimshaw CE, Hepworth D, Howe T, Huber KV, Jin J, Knapp S, Kotz JD, Kruger RG, Lowe D, Mader MM, Marsden B, Mueller-Fahrnow A, Müller S, O'Hagan RC, Overington JP, Owen DR, Rosenberg SH, Ross R, Roth B, Schapira M, Schreiber SL, Shoichet B, Sundström M, Superti-Furga G, Taunton J, Toledo-Sherman L, Walpole C, Walters MA, Willson TM, Workman P, Young RN, Zuercher WJ.

Nat Chem Biol. 2015 Nov;11(11):887. doi: 10.1038/nchembio1115-887c. No abstract available.

PMID:
26485080
7.

The promise and peril of chemical probes.

Arrowsmith CH, Audia JE, Austin C, Baell J, Bennett J, Blagg J, Bountra C, Brennan PE, Brown PJ, Bunnage ME, Buser-Doepner C, Campbell RM, Carter AJ, Cohen P, Copeland RA, Cravatt B, Dahlin JL, Dhanak D, Edwards AM, Frederiksen M, Frye SV, Gray N, Grimshaw CE, Hepworth D, Howe T, Huber KV, Jin J, Knapp S, Kotz JD, Kruger RG, Lowe D, Mader MM, Marsden B, Mueller-Fahrnow A, Müller S, O'Hagan RC, Overington JP, Owen DR, Rosenberg SH, Roth B, Ross R, Schapira M, Schreiber SL, Shoichet B, Sundström M, Superti-Furga G, Taunton J, Toledo-Sherman L, Walpole C, Walters MA, Willson TM, Workman P, Young RN, Zuercher WJ.

Nat Chem Biol. 2015 Aug;11(8):536-41. doi: 10.1038/nchembio.1867. No abstract available. Erratum in: Nat Chem Biol. 2015 Aug;11(8):541. Roth, Brian [Corrected to Roth, Bryan] and Frederiksen, Mathias [Added]. Nat Chem Biol. 2015 Nov;11(11):887.

8.

Know your target, know your molecule.

Bunnage ME, Gilbert AM, Jones LH, Hett EC.

Nat Chem Biol. 2015 Jun;11(6):368-72. doi: 10.1038/nchembio.1813. No abstract available.

PMID:
25978985
9.

Fluorine in drug design: a case study with fluoroanisoles.

Xing L, Blakemore DC, Narayanan A, Unwalla R, Lovering F, Denny RA, Zhou H, Bunnage ME.

ChemMedChem. 2015 Apr;10(4):715-26. doi: 10.1002/cmdc.201402555. Epub 2015 Mar 6.

PMID:
25755132
10.

Preclinical target validation using patient-derived cells.

Edwards AM, Arrowsmith CH, Bountra C, Bunnage ME, Feldmann M, Knight JC, Patel DD, Prinos P, Taylor MD, Sundström M; SGC Open Source Target-Discovery Partnership.

Nat Rev Drug Discov. 2015 Mar;14(3):149-50. doi: 10.1038/nrd4565. Epub 2015 Feb 20.

PMID:
25722227
11.

(R)-PFI-2 is a potent and selective inhibitor of SETD7 methyltransferase activity in cells.

Barsyte-Lovejoy D, Li F, Oudhoff MJ, Tatlock JH, Dong A, Zeng H, Wu H, Freeman SA, Schapira M, Senisterra GA, Kuznetsova E, Marcellus R, Allali-Hassani A, Kennedy S, Lambert JP, Couzens AL, Aman A, Gingras AC, Al-Awar R, Fish PV, Gerstenberger BS, Roberts L, Benn CL, Grimley RL, Braam MJ, Rossi FM, Sudol M, Brown PJ, Bunnage ME, Owen DR, Zaph C, Vedadi M, Arrowsmith CH.

Proc Natl Acad Sci U S A. 2014 Sep 2;111(35):12853-8. doi: 10.1073/pnas.1407358111. Epub 2014 Aug 18.

12.

Discovery and optimization of small-molecule ligands for the CBP/p300 bromodomains.

Hay DA, Fedorov O, Martin S, Singleton DC, Tallant C, Wells C, Picaud S, Philpott M, Monteiro OP, Rogers CM, Conway SJ, Rooney TP, Tumber A, Yapp C, Filippakopoulos P, Bunnage ME, Müller S, Knapp S, Schofield CJ, Brennan PE.

J Am Chem Soc. 2014 Jul 2;136(26):9308-19. doi: 10.1021/ja412434f. Epub 2014 Jun 19.

13.

PFI-1, a highly selective protein interaction inhibitor, targeting BET Bromodomains.

Picaud S, Da Costa D, Thanasopoulou A, Filippakopoulos P, Fish PV, Philpott M, Fedorov O, Brennan P, Bunnage ME, Owen DR, Bradner JE, Taniere P, O'Sullivan B, Müller S, Schwaller J, Stankovic T, Knapp S.

Cancer Res. 2013 Jun 1;73(11):3336-46. doi: 10.1158/0008-5472.CAN-12-3292. Epub 2013 Apr 10.

14.

Target validation using chemical probes.

Bunnage ME, Chekler EL, Jones LH.

Nat Chem Biol. 2013 Apr;9(4):195-9. doi: 10.1038/nchembio.1197. No abstract available.

PMID:
23508172
15.

Identification of a chemical probe for bromo and extra C-terminal bromodomain inhibition through optimization of a fragment-derived hit.

Fish PV, Filippakopoulos P, Bish G, Brennan PE, Bunnage ME, Cook AS, Federov O, Gerstenberger BS, Jones H, Knapp S, Marsden B, Nocka K, Owen DR, Philpott M, Picaud S, Primiano MJ, Ralph MJ, Sciammetta N, Trzupek JD.

J Med Chem. 2012 Nov 26;55(22):9831-7. doi: 10.1021/jm3010515. Epub 2012 Nov 8.

16.

Lead Diversification 2: application to P38, gMTP and lead compounds.

Masood MA, Bazin M, Bunnage ME, Calabrese A, Cox M, Fancy SA, Farrant E, Pearce DW, Perez M, Hitzel L, Peakman T.

Bioorg Med Chem Lett. 2012 Jan 15;22(2):1255-62. doi: 10.1016/j.bmcl.2011.11.033. Epub 2011 Nov 17.

PMID:
22172703
17.

Lead diversification. Application to existing drug molecules: mifepristone 1 and antalarmin 8.

Abid Masood M, Farrant E, Morao I, Bazin M, Perez M, Bunnage ME, Fancy SA, Peakman T.

Bioorg Med Chem Lett. 2012 Jan 1;22(1):723-8. doi: 10.1016/j.bmcl.2011.10.066. Epub 2011 Oct 25.

PMID:
22104142
18.

Acidic triazoles as soluble guanylate cyclase stimulators.

Roberts LR, Bradley PA, Bunnage ME, England KS, Fairman D, Fobian YM, Fox DN, Gymer GE, Heasley SE, Molette J, Smith GL, Schmidt MA, Tones MA, Dack KN.

Bioorg Med Chem Lett. 2011 Nov 1;21(21):6515-8. doi: 10.1016/j.bmcl.2011.08.071. Epub 2011 Aug 28.

PMID:
21924901
19.

Design and synthesis of inhaled p38 inhibitors for the treatment of chronic obstructive pulmonary disease.

Millan DS, Bunnage ME, Burrows JL, Butcher KJ, Dodd PG, Evans TJ, Fairman DA, Hughes SJ, Kilty IC, Lemaitre A, Lewthwaite RA, Mahnke A, Mathias JP, Philip J, Smith RT, Stefaniak MH, Yeadon M, Phillips C.

J Med Chem. 2011 Nov 24;54(22):7797-814. doi: 10.1021/jm200677b. Epub 2011 Oct 28.

PMID:
21888439
20.

Inhalation by design: novel tertiary amine muscarinic M₃ receptor antagonists with slow off-rate binding kinetics for inhaled once-daily treatment of chronic obstructive pulmonary disease.

Glossop PA, Watson CA, Price DA, Bunnage ME, Middleton DS, Wood A, James K, Roberts D, Strang RS, Yeadon M, Perros-Huguet C, Clarke NP, Trevethick MA, Machin I, Stuart EF, Evans SM, Harrison AC, Fairman DA, Agoram B, Burrows JL, Feeder N, Fulton CK, Dillon BR, Entwistle DA, Spence FJ.

J Med Chem. 2011 Oct 13;54(19):6888-904. doi: 10.1021/jm200884j. Epub 2011 Sep 20.

PMID:
21870878
21.

Getting pharmaceutical R&D back on target.

Bunnage ME.

Nat Chem Biol. 2011 Jun;7(6):335-9. doi: 10.1038/nchembio.581. No abstract available.

PMID:
21587251
22.

Inhalation by design: dual pharmacology β-2 agonists/M3 antagonists for the treatment of COPD.

Jones LH, Baldock H, Bunnage ME, Burrows J, Clarke N, Coghlan M, Entwistle D, Fairman D, Feeder N, Fulton C, Hilton L, James K, Jones RM, Kenyon AS, Marshall S, Newman SD, Osborne R, Patel S, Selby MD, Stuart EF, Trevethick MA, Wright KN, Price DA.

Bioorg Med Chem Lett. 2011 May 1;21(9):2759-63. doi: 10.1016/j.bmcl.2010.10.132. Epub 2010 Oct 31.

PMID:
21075627
23.

Inhalation by design: novel ultra-long-acting β(2)-adrenoreceptor agonists for inhaled once-daily treatment of asthma and chronic obstructive pulmonary disease that utilize a sulfonamide agonist headgroup.

Glossop PA, Lane CA, Price DA, Bunnage ME, Lewthwaite RA, James K, Brown AD, Yeadon M, Perros-Huguet C, Trevethick MA, Clarke NP, Webster R, Jones RM, Burrows JL, Feeder N, Taylor SC, Spence FJ.

J Med Chem. 2010 Sep 23;53(18):6640-52. doi: 10.1021/jm1005989.

PMID:
20804199
24.

Oxygenated analogues of UK-396082 as inhibitors of activated thrombin activatable fibrinolysis inhibitor.

Owen DR, Bull DJ, Bunnage ME, Glossop MS, Maguire RJ, Strang RS.

Bioorg Med Chem Lett. 2010 Jan 1;20(1):92-6. doi: 10.1016/j.bmcl.2009.11.029. Epub 2009 Nov 13.

PMID:
19954973
25.

Highly potent and selective chiral inhibitors of PDE5: an illustration of Pfeiffer's rule.

Bunnage ME, Mathias JP, Wood A, Miller D, Street SD.

Bioorg Med Chem Lett. 2008 Dec 1;18(23):6033-6. doi: 10.1016/j.bmcl.2008.10.037. Epub 2008 Oct 11.

PMID:
18951784
26.

TAFIa inhibitors in the treatment of thrombosis.

Bunnage ME, Owen DR.

Curr Opin Drug Discov Devel. 2008 Jul;11(4):480-6. Review.

PMID:
18600565
27.

The discovery of adamantyl-derived, inhaled, long acting beta(2)-adrenoreceptor agonists.

Brown AD, Bunnage ME, Glossop PA, James K, Jones R, Lane CA, Lewthwaite RA, Mantell S, Perros-Huguet C, Price DA, Trevethick M, Webster R.

Bioorg Med Chem Lett. 2008 Feb 15;18(4):1280-3. doi: 10.1016/j.bmcl.2008.01.034. Epub 2008 Jan 12.

PMID:
18226900
28.

Discovery of potent & selective inhibitors of activated thrombin-activatable fibrinolysis inhibitor for the treatment of thrombosis.

Bunnage ME, Blagg J, Steele J, Owen DR, Allerton C, McElroy AB, Miller D, Ringer T, Butcher K, Beaumont K, Evans K, Gray AJ, Holland SJ, Feeder N, Moore RS, Brown DG.

J Med Chem. 2007 Nov 29;50(24):6095-103. Epub 2007 Nov 9.

PMID:
17990866
29.

The discovery of indole-derived long acting beta2-adrenoceptor agonists for the treatment of asthma and COPD.

Brown AD, Bunnage ME, Glossop PA, Holbrook M, Jones RD, Lane CA, Lewthwaite RA, Mantell S, Perros-Huguet C, Price DA, Webster R.

Bioorg Med Chem Lett. 2007 Nov 15;17(22):6188-91. Epub 2007 Sep 8.

PMID:
17897826
30.

The discovery of long acting beta2-adrenoreceptor agonists.

Brown AD, Bunnage ME, Glossop PA, James K, Jones R, Lane CA, Lewthwaite RA, Mantell S, Perros-Huguet C, Price DA, Trevethick M, Webster R.

Bioorg Med Chem Lett. 2007 Jul 15;17(14):4012-5. Epub 2007 Apr 29.

PMID:
17498952
31.

Kinetic resolution of tert-butyl (RS)-3-alkylcyclopentene-1-carboxylates for the synthesis of homochiral 3-alkyl-cispentacin and 3-alkyl-transpentacin derivatives.

Bunnage ME, Davies SG, Parkin RM, Roberts PM, Smith AD, Withey JM.

Org Biomol Chem. 2004 Nov 21;2(22):3337-54. Epub 2004 Oct 20.

PMID:
15534712
32.

Asymmetric synthesis of the cis- and trans-stereoisomers of 4-aminopyrrolidine-3-carboxylic acid and 4-aminotetrahydrofuran-3-carboxylic acid.

Bunnage ME, Davies SG, Roberts PM, Smith AD, Withey JM.

Org Biomol Chem. 2004 Oct 7;2(19):2763-76. Epub 2004 Sep 1.

PMID:
15455148
33.

Asymmetric synthesis of anti-(2S,3S)- and syn-(2R,3S)-diaminobutanoic acid.

Bunnage ME, Burke AJ, Davies SG, Millican NL, Nicholson RL, Roberts PM, Smith AD.

Org Biomol Chem. 2003 Nov 7;1(21):3708-15.

PMID:
14649902
34.

Asymmetric synthesis of (1R,2S,3R)-3-methylcispentacin and (1S,2S,3R)-3-methyltranspentacin by kinetic resolution of tert-butyl (+/-)-3-methylcyclopentene-1-carboxylate.

Bunnage ME, Chippindale AM, Davies SG, Parkin RM, Smith AD, Withey JM.

Org Biomol Chem. 2003 Nov 7;1(21):3698-707.

PMID:
14649901
35.

Asymmetric synthesis of the putative structure of (-)-oryzoxymycin.

Bunnage ME, Ganesh T, Masesane IB, Orton D, Steel PG.

Org Lett. 2003 Feb 6;5(3):239-42.

PMID:
12556161
36.

Inhibition of protein kinases by balanol: specificity within the serine/threonine protein kinase subfamily.

Setyawan J, Koide K, Diller TC, Bunnage ME, Taylor SS, Nicolaou KC, Brunton LL.

Mol Pharmacol. 1999 Aug;56(2):370-6.

PMID:
10419556
37.

Crystal structure of the potent natural product inhibitor balanol in complex with the catalytic subunit of cAMP-dependent protein kinase.

Narayana N, Diller TC, Koide K, Bunnage ME, Nicolaou KC, Brunton LL, Xuong NH, Ten Eyck LF, Taylor SS.

Biochemistry. 1999 Feb 23;38(8):2367-76.

PMID:
10029530
38.

The oxide anion accelerated retro-diels-alder reaction.

Bunnage ME, Nicolaou KC.

Chemistry. 1997 Feb;3(2):187-92. doi: 10.1002/chem.19970030204.

PMID:
24022946
39.

Molecular design and biological activity of potent and selective protein kinase inhibitors related to balanol.

Koide K, Bunnage ME, Gomez Paloma L, Kanter JR, Taylor SS, Brunton LL, Nicolaou KC.

Chem Biol. 1995 Sep;2(9):601-8.

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