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2011
11 Citations (Scopus)

Thiazolidinedione-based PI3K alpha inhibitors: an analysis of biochemical and virtual screening methods

Pinson, J-A., Schmidt-Kittler, O., Zhu, J., Jennings, I., Kinzler, K., Vogelstein, B., Chalmers, D. & Thompson, P., 2011, In : ChemMedChem. 6, 3, p. 514 - 522 9 p.

Research output: Contribution to journalArticleResearchpeer-review

15 Citations (Scopus)

Thiophene inhibitors of PDE4: crystal structures show a second binding mode at the catalytic domain of PDE4D2

Nankervis, J., Feil, S., Hancock, N., Zheng, Z., Ng, H., Morton, C., Holien, J., Ho, P., Frazzetto, M., Jennings, I., Manallack, D., Martin, T. J., Thompson, P. & Parker, M., 2011, In : Bioorganic and Medicinal Chemistry Letters. 21, 23, p. 7089 - 7093 5 p.

Research output: Contribution to journalArticleResearchpeer-review

36 Citations (Scopus)

TLR regulation of SPSB1 controls inducible nitric oxide synthase induction

Lewis, R., Kolesnik, T., Kuang, Z., D'Cruz, A., Blewitt, M., Masters, S., Low, A., Willson, T., Norton, R. & Nicholson, S., 2011, In : Journal of Immunology. 187, 7, p. 3798 - 3805 8 p.

Research output: Contribution to journalArticleResearchpeer-review

44 Citations (Scopus)

Tripeptide motifs in biology: targets for peptidomimetic design

Ung, P. & Winkler, D., 2011, In : Journal of Medicinal Chemistry. 54, 5, p. 1111-1125 15 p.

Research output: Contribution to journalArticleResearchpeer-review

23 Citations (Scopus)

Using molecular dynamics to study liquid phase behavior: Simulations of the ternary sodium laurate/sodium oleate/water system

King, D., Warren, D., Pouton, C. & Chalmers, D., 2011, In : Langmuir: the ACS journal of surfaces and colloids. 27, 18, p. 11381 - 11393 13 p.

Research output: Contribution to journalArticleResearchpeer-review

37 Citations (Scopus)

VPS29 is not an active metallo-phosphatase but is a rigid scaffold required for retromer interaction with accessory proteins

Swarbrick, J., Shaw, D., Chhabra, S., Ghai, R., Valkov, E., Norwood, S., Seaman, M. & Collins, B., 2011, In : PLoS ONE. 6, 5, 15 p., e20420.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
2010
455 Citations (Scopus)

10-year stroke prevention after successful carotid endarterectomy for asymptomatic stenosis (ACST-1): A multicentre randomised trial

Halliday, A., Harrison, M., Hayter, E., Kong, X., Mansfield, A., Marro, J., Pan, H., Peto, R., Potter, J., Rahimi, K., Rau, A., Robertson, S., Streifler, J., Thomas, D., Cooper, M. E., MacKay, M., Wood, J., Christopoulos, G., Pereira, M. C., Blomstrand, C. & 205 others, Forssell, C., Potemkowski, A., Skiöldebrand, C., Stoor, P., Blomqvist, M., Calander, M., Forssell, C., Lundgren, F., Almqvist, H., Norgren, L., Norrving, B., Ribbe, E., Thörne, J., Gottsäter, A., Mätzsch, T., Nilsson, M. E., Forssell, C., Lonsson, M., Lundgren, F., Stahre, B., Norgren, L., Stenberg, B., Konrad, P., Jarl, L., Lundqvist, L., Olofsson, P., Rosfors, S., Skiöldebrand, C., Swedenborg, J., Takolander, R., Bergqvist, D., Ljungman, C., Pärsson, H., Kniemeyer, H. W., Widmer, M. K., Kuster, R., Kaiser, R., Nagel, W., Sege, D., Weder, B., Nie, J., Doelman, J., Yilmaz, N. K., Buth, J., Stultiens, G., Boiten, J., Boon, R. A., van der Linden, F., Busman, D. C., Sinnige, H. A. W., Yo, T. I., de Borst, G. J., Eikelboom, B. C., Kappelle, L. J., Tovar-Moll, F., van Reedt Dortland, R. W. H., Westra, T. E., Jaber, H., Manaa, J., Meftah, R. B., Nabil, B. R., Sraieb, T., Bateman, E. D., Budd, J., Horrocks, M., Kivela, M., Shaw, L., Walker, R., D'Sa, A. A. B. B., Simms, M. S., Baird, R., Campbell, M., Cole, S., Ferguson, I. T., Lamont, P. J., Mitchell, D., Sassano, A., Smith, F. C. T., Blake, K. L., Kirkpatrick, P. J., Martin, P., Turner, P. C., Clegg, J. F., Crosley, M., Hall, J., de Cossart, L., Edwards, P., Fletcher, D., Stigger-Rosser, E., McCollum, P. T., Davidson, D., Levison, R., Bradbury, A. W., Chalmers, R. T. A., Dennis, M., Murie, J. A., Ruckley, C. V., Sandercock, P., Campbell, W. B., Frankel, T., Gardner-Thorpe, C., Gutowski, N., Hardie, R. E., Honan, W., Niblett, P., Peters, A., Ridler, B., Thompson, J. F., Bone, I., Welch, G. C., Grocott, E. C., Overstall, P., Aldoori, M. I., Dafalla, B. E. A., Bryce, J., Clarke, C., McCollum, P. T., Ming, A-X., Wilkinson, A. R., Bamford, J., Berridge, D., Scott, J., Abbott, R. J., Naylor, R., Harris, P., Humphrey, Q. P. C., Adiseshiah, M., Aukett, M., Baker, D., Bishop, C. C. R., Boutin, A., Brown, M., Burke, P., Burnand, K. G., Colchester, A., Coward, L., Davies, A. H., Espasandin, M., Giddings, A. E. B., Hamilton, G., Judge, C., Kakkos, S. K., McGuiness, C., Morris-Vincent, P., Nicolaides, A. N., Padayachee, T. S., Riordan, H., Sullivan, E., Taylor, P., Thompson, M., Wolfe, J. H. N., McCollum, C. N., O'Neill, P. A., Welsh, S., Barnes, J., Cleland, P., Davis, M., Gholkar, A., Jones, R., Jaykishnam, V., Mendelow, A. D., O'Connell, J. E., Siddique, M. S. S., Stansby, G., Vivar, R., Ashley, S., Cosgrove, C., Gibson, J., Wilkins, D. C., Chant, A. D. B., Frankel, J., Shearman, C. P., Williams, J., Hall, G., Holdsworth, R., Davies, J. N., McLean, B., Woodburn, K. R., Brown, G., Curley, P., Loizou, L., Chaturvedi, S., Diaz, R. F., Radak, D., Todorovic, P. R., Kamugasha, D., Baxter, A., Berry, C., Burrett, J., Collins, R., Crowther, M. J., Davies, C., Farrell, B., Godwin, J., Gray, R., Harwood, C., Hirt, L., Hope, C., Knight, S., Lay, M., Munday, A., Murawska, A., Peto, C. G., Radley, A. & Richards, S., 25 Sep 2010, In : The Lancet. 376, 9746, p. 1074-1084 11 p.

Research output: Contribution to journalArticleResearchpeer-review

24 Citations (Scopus)

An efficient synthesis of (+-)-frondosin B using a Stille-Heck reaction sequence

Masters, K-S. & Flynn, B. L., 2010, In : Organic and Biomolecular Chemistry. 8, 6, p. 1290 - 1292 3 p.

Research output: Contribution to journalArticleResearchpeer-review

21 Citations (Scopus)

Antiviral agents 2. Synthesis of trimeric naphthoquinone analogues of conocurvone and their antiviral evaluation against HIV

Crosby, I., Bourke, D., Jones, E., De Bruyn, P., Rhodes, D., Vandergraaff, N., Cox, S., Coates, J. & Robertson, A., 2010, In : Bioorganic & Medicinal Chemistry. 18, 17, p. 6442 - 6450 9 p.

Research output: Contribution to journalArticleResearchpeer-review

33 Citations (Scopus)

A reductive-coupling plus Nazarov cyclization sequence in the asymmetric synthesis of five-membered carbocycles

Kerr, D., White, J. & Flynn, B., 2010, In : Journal of Organic Chemistry. 75, 21, p. 7073 - 7084 12 p.

Research output: Contribution to journalArticleResearchpeer-review

2 Citations (Scopus)
3 Citations (Scopus)

Binding mode prediction of PDE4 inhibitors: a comparison of modelling methods

Neale, D., Thompson, P., White, P., Chalmers, D., Yuriev, E. & Manallack, D., 2010, In : Australian Journal of Chemistry. 63, 3, p. 396 - 404 9 p.

Research output: Contribution to journalArticleResearchpeer-review

59 Citations (Scopus)

BNC105: A novel tubulin polymerization inhibitor that selectively disrupts tumor vasculature and displays single-agent antitumor efficacy

Kremmidiotis, G., Leske, A., Lavranos, T., Beaumont, D., Gasic, J., Hall, A., O'Callaghan, M., Matthews, C. & Flynn, B., 2010, In : Molecular Cancer Therapeutics. 9, 6, p. 1562 - 1573 12 p.

Research output: Contribution to journalArticleResearchpeer-review

21 Citations (Scopus)

Characterization of the DsbA oxidative folding catalyst from Pseudomonas aeruginosa reveals a highly oxidizing protein that binds small molecules

Shouldice, S., Heras, B., Jarrott, R., Sharma, P., Scanlon, M. & Martin, J., 2010, In : Antioxidants and Redox Signaling. 12, 8, p. 921 - 931 11 p.

Research output: Contribution to journalArticleResearchpeer-review

58 Citations (Scopus)

Chromene-3-carboxamide derivatives discovered from virtual screening as potent inhibitors of the tumour maker, AKR1B10

Endo, S., Matsunaga, T., Kuwata, K., Zhao, H-T., El-Kabbani, O., Kitade, Y. & Hara, A., 2010, In : Bioorganic & Medicinal Chemistry. 18, 7, p. 2485 - 2490 6 p.

Research output: Contribution to journalArticleResearchpeer-review

16 Citations (Scopus)

Comparison of NMR and crystal structures highlights conformational isomerism in protein active sites

Serrano, P., Serrano, P., Pedrini, B., Pedrini, B., Geralt, M., Jaudzems, K., Jaudzems, K., Mohanty, B., Mohanty, B., Horst, R., Horst, R., Herrmann, T., Elsliger, M. A., Elsliger, M. A., Wilson, I. A., Wilson, I. A., Wilson, I. A., Wüthrich, K., Wüthrich, K., Wüthrich, K. & 1 others, Wüthrich, K., 1 Oct 2010, In : Acta Crystallographica. Section F: Structural Biology Communications. 66, 10, p. 1393-1405 13 p.

Research output: Contribution to journalArticleResearchpeer-review

6 Citations (Scopus)

Crystallization and preliminary X-ray analysis of 6 - Hydroxymethyl-7,8- dihydropterin pyrophosphokinase from Staphylococcus aureus

Chhabra, S., Newman, J., Peat, T. S., Fernley, R. T., Caine, J., Simpson, J. S. & Swarbrick, J. D., 2010, In : Acta Crystallographica. Section F: Structural Biology Communications. 66, 5, p. 575 - 578 4 p.

Research output: Contribution to journalArticleResearchpeer-review

37 Citations (Scopus)

Crystal structure of the HIV-1 integrase core domain in complex with sucrose reveals details of an allosteric inhibitory binding site

Wielens, J., Headey, S., Jeevarajah, D., Rhodes, D., Deadman, J., Chalmers, D., Scanlon, M. & Parker, M., 2010, In : FEBS Letters. 584, 8, p. 1455 - 1462 8 p.

Research output: Contribution to journalArticleResearchpeer-review

33 Citations (Scopus)

Delineating the mode of action of adenosine A1 receptor allosteric modulators

Valant, C., Aurelio, L., Urmaliya, V., White, P., Scammells, P., Sexton, P. & Christopoulos, A., 2010, In : Molecular Pharmacology. 78, 3, p. 444 - 455 12 p.

Research output: Contribution to journalArticleResearchpeer-review

31 Citations (Scopus)

Developing an anion host for lipid A binding and antibacterial activity

Henderson, L. C., Li, J., Nation, R. L., Velkov, T. & Pfeffer, F. M., 2010, In : Chemical Communications. 46, p. 3197 - 3199 3 p.

Research output: Contribution to journalArticleResearchpeer-review

23 Citations (Scopus)

Effects of conformational restriction of 2-amino-3-benzoylthiophenes on A1 adenosine receptor modulation

Aurelio, L., Valant, C., Flynn, B., Sexton, P., White, J., Christopoulos, A. & Scammells, P., 2010, In : Journal of Medicinal Chemistry. 53, p. 6550 - 6559 10 p.

Research output: Contribution to journalArticleResearchpeer-review

1 Citation (Scopus)

Factorizing the role of a critical leucine residue in the binding of substrate to human 20alpha-hydroxysteroid dehydrogenase (AKR1C1): Molecular modeling and kinetic studies of the Leu308Val mutant enzyme

Dhagat, U., Endo, S., Soda, M., Hara, A. & El-Kabbani, O., 2010, In : Bioorganic and Medicinal Chemistry Letters. 20, 17, p. 5274 - 5276 3 p.

Research output: Contribution to journalArticleResearchpeer-review

16 Citations (Scopus)

Free ig light chains interact with sphingomyelin and are found on the surface of myeloma plasma cells in an aggregated form

Hutchinson, A., Ramsland, P., Jones, D., Agostino, M., Lund, M., Jennings, C., Bockhorni, V., Yuriev, E., Edmundson, A. & Raison, R., 2010, In : Journal of Immunology. 185, p. 4179 - 4188 10 p.

Research output: Contribution to journalArticleResearchpeer-review

36 Citations (Scopus)

Further studies on the biodegradation of ionic liquids

Ford, L., Harjani, J., Atefi, F., Garcia, M., Singer, R. & Scammells, P., 2010, In : Green Chemistry. 12, 10, p. 1783 - 1789 7 p.

Research output: Contribution to journalArticleResearchpeer-review

83 Citations (Scopus)

Homology modeling and docking evaluation of aminergic G protein-coupled receptors

McRobb, F., Capuano, B., Crosby, I., Chalmers, D. & Yuriev, E., 2010, In : Journal of Chemical Information and Modeling. 50, 4, p. 626 - 637 12 p.

Research output: Contribution to journalArticleResearchpeer-review

25 Citations (Scopus)

Identification of preferred carbohydrate binding modes in xenoreactive antibodies by combining conformational filters and binding site maps

Agostino, M., Sandrin, M., Thompson, P., Yuriev, E. & Ramsland, P., 2010, In : Glycobiology. 20, 6, p. 724 - 735 12 p.

Research output: Contribution to journalArticleResearchpeer-review

13 Citations (Scopus)

Isoflavones isolated from red clover (Trifolium pratense) inhibit smooth muscle contraction of the isolated rat prostate gland

Brandi, A., Simpson, J. & Ventura, S., 2010, In : Phytomedicine : international journal of phytotherapy and phytopharmacology. 17, 11, p. 895 - 901 7 p.

Research output: Contribution to journalArticleResearchpeer-review

4 Citations (Scopus)

Isolation, identification and biological activity of gastrin-releasing peptide 1-46 (oGRP1-46), the primary GRP gene-derived peptide product of the pregnant ovine endometrium

Giraud, A., Dumesny, C., Whitley, J., Parker, L., Jennings, I., Kemp, B., Moody, T., Sancho, V., Jensen, RT. & Shulkes, A., 2010, In : Peptides. 31, 2, p. 284 - 290 6 p.

Research output: Contribution to journalArticleResearchpeer-review

6 Citations (Scopus)

JL13 has clozapine-like actions on thermoregulatory cutaneous blood flow in rats: Involvement of serotonin 5-HT1A and 5-HT2A receptor mechanisms

Capuano, B., Crosby, I., McRobb, F., Taylor, D., Vom, A. & Blessing, W., 2010, In : Progress in Neuro-Psychopharmacology and Biological Psychiatry. 34, 1, p. 136 - 142 7 p.

Research output: Contribution to journalArticleResearchpeer-review

6 Citations (Scopus)

Ligand-enhanced expression and in-cell assay of human peroxisome proliferator-activated receptor alpha ligand binding domain

Velkov, T., Rimmer, K. & Headey, S., 2010, In : Protein Expression and Purification. 70, 2, p. 260 - 269 10 p.

Research output: Contribution to journalArticleResearchpeer-review

5 Citations (Scopus)

Modelling inhalational anaesthetics using bayesian feature selection and QSAR modelling methods

Manallack, D. T., Burden, F. R. & Winkler, D. A., 2010, In : ChemMedChem. 5, 8, p. 1318 - 1323 6 p.

Research output: Contribution to journalArticleResearchpeer-review

19 Citations (Scopus)

N-demethylation of N-methyl alkaloids with ferrocene

Kok, G. B. & Scammells, P., 2010, In : Bioorganic and Medicinal Chemistry Letters. 20, p. 4499 - 4502 4 p.

Research output: Contribution to journalArticleResearchpeer-review

3 Citations (Scopus)

New hybrids of clozapine and haloperidol and their isosteric analogues: Synthesis, X-ray crystallography, conformational analysis and preliminary pharmacological evaluation

Capuano, B., Crosby, I., Forsyth, C. M., McRobb, F. M., Moudretski, V. V., Taylor, D. A., Vom, A. & Yuriev, E., 2010, In : Structural Chemistry. 21, 3, p. 613 - 628 16 p.

Research output: Contribution to journalArticleResearchpeer-review

10 Citations (Scopus)

Nitric oxide mitigates apoptosis in human endothelial cells induced by 9,10-phenanthrenequinone: role of proteasomal function

Matsunaga, T., Arakaki, M., Kamiya, T., Haga, M., Endo, S., El-Kabbani, O. & Hara, A., 2010, In : Toxicology. 268, 3, p. 191 - 197 7 p.

Research output: Contribution to journalArticleResearchpeer-review

5 Citations (Scopus)

NMR studies of dextromethorphan in both isotropic and anisotropic states

Swarbrick, J. & Ashton, T., 2010, In : Chirality. 22, 1, p. 42 - 49 8 p.

Research output: Contribution to journalArticleResearchpeer-review

14 Citations (Scopus)

Phenylalanine-544 plays a key role in substrate and inhibitor binding by providing a hydrophobic packing point at the active site of insulin-regulated aminopeptidase

Albiston, A., Pham, V., Ye, S., Ng, L., Lew, R., Thompson, P., Butler, J., Morton, C., Parker, M. & Chai, S., 2010, In : Molecular Pharmacology. 78, 4, p. 600 - 607 8 p.

Research output: Contribution to journalArticleResearchpeer-review

21 Citations (Scopus)

Properties and tissue distribution of a novel aldo-keto reductase encoding in a rat gene (Akr1b10)

Endo, S., Matsunaga, T., Kuragano, T., Ohno, S., Kitade, Y., Tajima, K., El-Kabbani, O. & Hara, A., 2010, In : Archives of Biochemistry and Biophysics. 503, 2, p. 230 - 237 8 p.

Research output: Contribution to journalArticleResearchpeer-review

12 Citations (Scopus)

Rat aldose reductase-like protein (AKR1B14) efficiently reduces the lipid peroxidation product 4-oxo-2-nonenal

Endo, S., Matsunaga, T., Fujita, A., Tajima, K., El-Kabbani, O. & Hara, A., 2010, In : Biological & Pharmaceutical Bulletin. 33, 11, p. 1886 - 1890 5 p.

Research output: Contribution to journalArticleResearchpeer-review

37 Citations (Scopus)

Richter cyclization and co-cyclization reactions of triazene-masked diazonium ions

Goeminne, A., Scammells, P., Devine, S. & Flynn, B., 2010, In : Tetrahedron Letters. 51, 52, p. 6882 - 6885 4 p.

Research output: Contribution to journalArticleResearchpeer-review

19 Citations (Scopus)

Robust modelling of solubility in supercritical carbon dioxide using Bayesian methods

Tarasova, A., Burden, F., Gasteiger, J. & Winkler, D. A., Apr 2010, In : Journal of Molecular Graphics and Modelling. 28, 7, p. 593-597 5 p.

Research output: Contribution to journalArticleResearchpeer-review

39 Citations (Scopus)

Selective inhibition of the tumor marker AKR1B10 by antiinflammatory N-phenylanthranilic acids and glycyrrhetic acid

Endo, S., Matsunaga, T., Soda, M., Tajima, K., Zhao, H-T., El-Kabbani, O. & Hara, A., 2010, In : Biological & Pharmaceutical Bulletin. 33, 5, p. 886 - 890 5 p.

Research output: Contribution to journalArticleResearchpeer-review

14 Citations (Scopus)

Selectivity determinants of inhibitor binding to the tumour marker human aldose reductase-like protein (AKR1B10) discovered from molecular docking and database screening

Zhao, H-T., Soda, M., Endo, S., Hara, A. & El-Kabbani, O., 2010, In : European Journal of Medicinal Chemistry. 45, p. 4354 - 4357 4 p.

Research output: Contribution to journalArticleResearchpeer-review

36 Citations (Scopus)

Self-assembly behavior of colistin and its prodrug colistin methanesulfonate: implications for solution stability and solubilization

Wallace, S. J., Li, J., Nation, R. L., Prankerd, R. J., Velkov, T. & Boyd, B. J., 2010, In : Journal of Physical Chemistry B. 114, p. 4836 - 4840 5 p.

Research output: Contribution to journalArticleResearchpeer-review

67 Citations (Scopus)

Small heat-shock proteins interact with a flanking domain to suppress polyglutamine aggregation

Robertson, A. L., Headey, S. J., Saunders, H. M., Ecroyd, H., Scanlon, M., Carver, J. A. & Bottomley, S. P., 2010, In : Proceedings of the National Academy of Sciences. 107, 23, p. 10424 - 10429 6 p.

Research output: Contribution to journalArticleResearchpeer-review

44 Citations (Scopus)

Sonogashira coupling reactions in biodegradable ionic liquids derived from nicotinic acid

Harjani, J., Abraham, T., Gomez, A., Garcia, M., Singer, R. & Scammells, P., 2010, In : Green Chemistry. 12, 4, p. 650 - 655 6 p.

Research output: Contribution to journalArticleResearchpeer-review

266 Citations (Scopus)

Structure-Activity Relationships of Polymyxin Antibiotics

Velkov, T., Thompson, P., Nation, R. L. & Li, J., 2010, In : Journal of Medicinal Chemistry. 53, p. 1898 - 1916 19 p.

Research output: Contribution to journalArticleResearchpeer-review

9 Citations (Scopus)

Structure-based optimization and biological evaluation of human 20alpha-hydroxysteroid dehydrogenase (AKR1C1) salicylic acid-based inhibitors

El-Kabbani, O., Scammells, P. J., Day, T., Dhagat, U., Endo, S., Matsunaga, T., Soda, M. & Hara, A., 2010, In : European Journal of Medicinal Chemistry. 45, 11, p. 5309 - 5317 9 p.

Research output: Contribution to journalArticleResearchpeer-review

15 Citations (Scopus)

Structure of aldehyde reductase in ternary complex with a 5-arylidene-2,4-thiazolidinedione aldose reductase inhibitor

Carbone, V., Giglio, M., Chung, R., Huyton, T., Adams, J., Maccari, R., Ottana, R., Hara, A. & El-Kabbani, O., 2010, In : European Journal of Medicinal Chemistry. 45, 3, p. 1140 - 1145 6 p.

Research output: Contribution to journalArticleResearchpeer-review

Studies on a Tyr residue critical for the binding of coenzyme and substrate in mouse 3(17)alpha-hydroxysteroid dehydrogenase (AKR1C21): Structure of the Y224D mutant enzyme

Dhagat, U., Endo, S., Mamiya, H., Hara, A. & El-Kabbani, O., 2010, In : Acta Crystallographica Section D: Biological Crystallography. 66, 2, p. 198 - 204 7 p.

Research output: Contribution to journalArticleResearchpeer-review