Research Output 1977 2019

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2016

The extracellular surface of the GLP-1 receptor is a molecular trigger for biased agonism

Wootten, D., Reynolds, C. A., Smith, K. J., Mobarec, J. C., Koole, C., Savage, E. E., Pabreja, K., Simms, J., Sridhar, R., Furness, S. G. B., Liu, M., Thompson, P. E., Miller, L. J., Christopoulos, A. & Sexton, P. M., 16 Jun 2016, In : Cell. 165, 7, p. 1632-1643 12 p.

Research output: Contribution to journalArticleResearchpeer-review

The hybrid molecule, VCP746, is a potent adenosine A2B receptor agonist that stimulates anti-fibrotic signalling

Vecchio, L., Chuo, C. H., Baltos, J-A., Ford, L., Scammells, P. J., Wang, B. H., Christopoulos, A., White, P. J. & May, L. T., 1 Oct 2016, In : Biochemical Pharmacology. 117, p. 46-56 11 p.

Research output: Contribution to journalArticleResearchpeer-review

The role of kinetic context in apparent biased agonism at GPCRs

Herenbrink, C. K., Sykes, D. A., Donthamsetti, P., Canals, M., Coudrat, T., Shonberg, J., Scammells, P. J., Capuano, B., Sexton, P. M., Charlton, S. J., Javitch, J. A., Christopoulos, A. & Lane, J. R., 24 Feb 2016, In : Nature Communications. 7, 14 p., 10842.

Research output: Contribution to journalArticleResearchpeer-review

Open Access

The ways and means of fragment-based drug design

Doak, B. C., Norton, R. S. & Scanlon, M. J., 1 Nov 2016, In : Pharmacology and Therapeutics. 167, p. 28-37 10 p.

Research output: Contribution to journalArticleResearchpeer-review

Transcriptomic analysis of the activity of a novel polymyxin against Staphylococcus aureus

Zhao, J., Cheah, S-E., Roberts, K. D., Nation, R. L., Thompson, P. E., Velkov, T., Du, Z., Johnson, M. D. & Li, J., 2016, In : mSphere. 1, 4, 13 p., e00119-16.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
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Truncated latrunculins as actin inhibitors targeting Plasmodium falciparum motility and host cell invasion

Johnson, S., Rahmani, R., Drew, D. R., Williams, M. J., Wilkinson, M. I., Tan, Y. H., Huang, J. X., Tonkin, C. J., Beeson, J., Baum, J., Smith, B. J. & Baell, J., 22 Dec 2016, In : Journal of Medicinal Chemistry. 59, 24, p. 10994-11005 12 p.

Research output: Contribution to journalArticleResearchpeer-review

Understanding the roles of the "two QSARs"

Fujita, T. & Winkler, D. A., 2016, In : Journal of Chemical Information and Modeling. 56, 2, p. 269-274 6 p.

Research output: Contribution to journalArticleResearchpeer-review

Using high throughput experimental data and in silico models to discover alternatives to toxic chromate corrosion inhibitors

Winkler, D. A., Breedon, M., White, P., Hughes, A. E., Sapper, E. D. & Cole, I., 2016, In : Corrosion Science. 106, p. 229-235 7 p.

Research output: Contribution to journalArticleResearchpeer-review

Validating Eaton's Hypothesis: Cubane as a Benzene Bioisostere

Chalmers, B. A., Xing, H., Houston, S., Clark, C., Ghassabian, S., Kuo, A., Cao, B., Reitsma, A., Murray, C-E. P., Stok, J. E., Boyle, G. M., Pierce, C. J., Littler, S. W., Winkler, D. A., Bernhardt, P. V., Pasay, C., De Voss, J. J., McCarthy, J., Parsons, P. G., Walter, G. H. & 6 othersSmith, M. T., Cooper, H. M., Nilsson, S. K., Tsanaktsidis, J., Savage, G. P. & Williams, C. M., 2016, In : Angewandte Chemie - International Edition. 55, 11, p. 3580-3585 6 p.

Research output: Contribution to journalArticleResearchpeer-review

Zwitterionic polymer-coated ultrasmall superparamagnetic iron oxide nanoparticles with low protein interaction and high biocompatibility

Pombo-García, K., Weiss, S., Zarschler, K., Ang, C-S., Hübner, R., Pufe, J., Meister, S., Seidel, J., Pietzsch, J., Spiccia, L., Stephan, H. & Graham, B., 2016, In : ChemNanoMat. 2, 10, p. 959-971 13 p.

Research output: Contribution to journalArticleResearchpeer-review

2015

6-arylpyrazine-2-carboxamides: a new core for Trypanosoma brucei inhibitors

Rahmani, R., Ban, K., Jones, A. J., Ferrins, L., Ganame, D., Sykes, M. L., Avery, V. M., White, K. L., Ryan, E., Kaiser, M., Charman, S. A. & Baell, J. B., 2015, In : Journal of Medicinal Chemistry. 58, 17, p. 6753-6765 13 p.

Research output: Contribution to journalArticleResearchpeer-review

A bright future for evolutionary methods in drug design

Le, T. C. & Winkler, D. A., 2015, In : ChemMedChem. 10, 8, p. 1296 - 1300 5 p.

Research output: Contribution to journalArticleOther

Acquisition of doxorubicin resistance facilitates migrating and invasive potentials of gastric cancer MKN45 cells through up-regulating aldo-keto reductase 1B10

Morikawa, Y., Kezuka, C., Endo, S., Ikari, A., Soda, M., Yamamura, K., Toyooka, N., El-Kabbani, O., Hara, A. & Matsunaga, T., 2015, In : Chemico-Biological Interactions. 230, p. 30-39 10 p.

Research output: Contribution to journalArticleResearchpeer-review

Adrien Albert award: how to mine chemistry space for new drugs and biomedical therapies

Winkler, D., 2015, In : Australian Journal of Chemistry. 68, 8, p. 1174-1182 9 p.

Research output: Contribution to journalArticleResearchpeer-review

A new Gd3+ spin label for Gd3+-Gd3+ distance measurements in proteins produces narrow distance distributions

Abdelkader, E. H., Lee, M. D., Feintuch, A., Cohen, M. R., Swarbrick, J. D., Otting, G., Graham, B. & Goldfarb, D., 2015, In : Journal of Physical Chemistry Letters. 6, 24, p. 5016-5021 6 p.

Research output: Contribution to journalArticleResearchpeer-review

An SECM study on the influence of cationic, membrane-active peptides on a gold-supported self-assembled monolayer

Abdelhamid, M., Piantavigna, S., Bond, A. M., Graham, B., Spiccia, L., Martin, L. L. & O'Mullane, A. P., 2015, In : Electrochemistry Communications. 51, p. 11-14 4 p.

Research output: Contribution to journalArticleResearchpeer-review

Application of fragment-based screening to the design of inhibitors of Escherichia coli DsbA

Adams, L. A., Sharma, P., Mohanty, B., Ilyichova, O., Mulcair, M., Williams, M., Gleeson, E., Torsika, M., Doak, B. C., Dias de Gouveia Caria, S. M., Rimmer, K., Horne, H. J., Shouldice, S. R., Vazirani, M., Headey, S. J., Plumb, B. R., Martin, J., Heras, B., Simpson, J. S. & Scanlon, M., 2015, In : Angewandte Chemie - International Edition. 54, 7, p. 2179-2184 6 p.

Research output: Contribution to journalArticleResearchpeer-review

A practical Java tool for small-molecule compound appraisal

Amani, P., Sneyd, T., Preston, S., Young, N. D., Mason, L., Bailey, U-M., Baell, J. B., Camp, D. G., Gasser, R. B., Gorse, A-D., Taylor, P. R. & Hofmann, A., 2015, In : Journal of Cheminformatics. 7, 1, 4 p., 28.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
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A structure-activity relationship study of the positive allosteric modulator LY2033298 at the M4 muscarinic acetylcholine receptor

Szabo, M., Huynh, T., Valant, C., Lane, J. R., Sexton, P. M., Christopoulos, A. & Capuano, B., 2015, In : MedChemComm. 6, 11, p. 1998-2003 6 p.

Research output: Contribution to journalArticleResearchpeer-review

Beware of R2: simple, unambiguous assessment of the prediction accuracy of QSAR and QSPR models

Alexander, D. L. J., Tropsha, A. & Winkler, D. A., 2015, In : Journal of Chemical Information and Modeling. 55, 7, p. 1316-1322 7 p.

Research output: Contribution to journalArticleResearchpeer-review

Biased allosteric modulation at the CaS receptor engendered by structurally diverse calcimimetics

Cook, A. E., Mistry, S. N., Gregory, K. J., Furness, S. G. B., Sexton, P., Scammells, P. J., Conigrave, A., Christopoulos, A. & Leach, K., 2015, In : British Journal of Pharmacology. 172, 1, p. 185 - 200 16 p.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
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Bonding in singlet and triplet butalene: insights from spin-coupled theory

Cooper, D. L., Karadakov, P. B. & Duke, B. J., 2015, In : The Journal of Physical Chemistry A. 119, 10, p. 2169-2175 7 p.

Research output: Contribution to journalArticleResearchpeer-review

Cellular uptake and localization of polymyxins in renal tubular cells using rationally designed fluorescent probes

Yun, B., Azad, M. A. K., Nowell, C. J., Nation, R. L., Thompson, P. E., Roberts, K. D., Velkov, T. & Li, J., 2015, In : Antimicrobial Agents and Chemotherapy. 59, 12, p. 7489-7496 8 p.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
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Chemistry Space-Time

Winkler, D. A., 2015, In : Perspectives in Science. 6, p. 2-14 13 p.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
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Compact, hydrophilic, lanthanide-binding tags for paramagnetic NMR spectroscopy

Lee, M. D., Loh, C. T., Shin, J., Chhabra, S., Dennis, M. L., Otting, G., Swarbrick, J. D. & Graham, B., 2015, In : Chemical Science. 6, 4, p. 2614-2624 11 p.

Research output: Contribution to journalArticleResearchpeer-review

Open Access

Conformational dynamics and antigenicity in the disordered malaria antigen merozoite surface protein 2

MacRaild, C. A., Zachrdla, M., Andrew, D. W., Krishnarjuna, B., Novacek, J., Zidek, L., Sklenar, V., Richards, J. S., Beeson, J. G., Anders, R. F. & Norton, R. S., 2015, In : PLoS ONE. 10, 3, 18 p., e0119899.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
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Conserved features in TamA enable interaction with TamB to drive the activity of the translocation and assembly module

Selkrig, J. P., Belousoff, M. J., Headey, S. J., Heinz, E., Shiota, T., Shen, H-H., Beckham, S. A., Bamert, R. S., Phan, M-D., Schembri, M. A., Wilce, M. C., Scanlon, M. J., Strugnell, R. A. & Lithgow, T. J., 2015, In : Scientific Reports. 5, 12 p., 12905.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
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Contrasting reactivity of CS2 with cyclic vs. acyclic amidines

Ang, M. T. C., Phan, L., Alshamrani, A. K., Harjani, J. R., Wang, R., Schatte, G., Mosey, N. J. & Jessop, P. G., 2015, In : European Journal of Organic Chemistry. 2015, 33, p. 7334-7343 10 p.

Research output: Contribution to journalArticleResearchpeer-review

Coordination chemistry of a mono-dibenzofuran derivative of 1,4,7,10-tetraazacyclododecane

Barreto Solano, J. A., Joshi, T., Venkatachalam, T., Reutens, D. C., Graham, B. & Spiccia, L., 2015, In : Journal of Coordination Chemistry. 68, 2, p. 335-349 15 p.

Research output: Contribution to journalArticleResearchpeer-review

Coumarin-based fluorescent sensors for zinc(II) and hypochlorite

Aulsebrook, M., Graham, B., Grace, M. R. & Tuck, K. L., 2015, In : Supramolecular Chemistry. 27, 11-12, p. 798-806 9 p.

Research output: Contribution to journalArticleResearchpeer-review

Defining the mechanisms by which the reactive oxygen species by-product, 4-hydroxynonenal, affects human sperm cell function

Baker, M. A., Weinberg, A. S., Hetherington, L., Villaverde, A-I., Velkov, T., Baell, J. B. & Gordon, C. P., 2015, In : Biology of Reproduction. 92, 4, p. 1 - 10 10 p.

Research output: Contribution to journalArticleResearchpeer-review

Demonstration of elevated levels of active cathepsin S in dextran sulfate sodium colitis using a new activatable probe

Barlow, N., Nasser, Y., Zhao, P., Sharma, N., Guerrero-Alba, R., Edgington-Mitchell, L. E., Lieu, T., Veldhuis, N. A., Poole, D. P., Conner, J. W., Lindstrom, E., Craig, A. W., Graham, B., Vanner, S. J. & Bunnett, N. W., 2015, In : Neurogastroenterology and Motility. 27, 11, p. 1675-1680 6 p.

Research output: Contribution to journalArticleResearchpeer-review

Design, synthesis, and biological evaluation of tetra-substituted thiophenes as inhibitors of p38alpha MAPK

Vinh, N., Devine, S., Munoz, L., Ryan, R. M., Wang, B. H., Krum, H., Chalmers, D. K., Simpson, J. S. & Scammells, P. J., 2015, In : ChemistryOpen. 4, 1, p. 56 - 64 9 p.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
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Determinants of proteolysis and cell-binding for the shigella flexneri cytotoxin, SigA

Chua, E. G., Al-Hasani, K., Scanlon, M. J., Adler, B. & Sakellaris, H. H., 2015, In : Current Microbiology. 71, 5, p. 613 - 617 5 p.

Research output: Contribution to journalArticleResearchpeer-review

Development of highly selective Kv1.3-blocking peptides based on the sea anemone peptide ShK

Pennington, M. W., Chang, S. J., Chauhan, S., Huq, R., Tajhya, R. B., Chhabra, S., Norton, R. S. & Beeton, C., 2015, In : Marine Drugs. 13, 1, p. 529 - 542 14 p.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
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Discovery by proteogenomics and characterization of an RF-amide neuropeptide from cone snail venom

Robinson, S., Safavi-Hemami, H., Raghuraman, S. C., Imperial, J. S., Papenfuss, A. T., Teichert, R. W., Purcell, A. W., Olivera, B. M. & Norton, R. S., 2015, In : Journal of Proteomics. 114, p. 38 - 47 10 p.

Research output: Contribution to journalArticleResearchpeer-review

Discovery of a novel class of negative allosteric modulator of the dopamine D2 receptor through fragmentation of a bitopic ligand

Mistry, S. N., Shonberg, J., Draper-Joyce, C. J., Klein Herenbrink, C., Michino, M., Shi, L., Christopoulos, A., Capuano, B., Scammells, P. J. & Lane, J. R. D., 2015, In : Journal of Medicinal Chemistry. 58, 17, p. 6819-6843 25 p.

Research output: Contribution to journalArticleResearchpeer-review

Discovery of a novel polymer for human pluripotent stem cell expansion and multilineage differentiation

Celiz, A., Smith, J. G. W., Patel, A. K., Hook, A. L., Rajamohan, D., George, V. T., Flatt, L., Patel, M. J., Epa, V. C., Singh, T., Langer, R. S. M., Anderson, D. G., Allen, N. D., Hay, D. C., Winkler, D. A., Barrett, D. A., Davies, M. C., Young, L., Denning, C. & Alexander, M. R., 2015, In : Advanced Materials. 27, 27, p. 4006-4012 7 p.

Research output: Contribution to journalArticleResearchpeer-review

Dynamic binding mode of a Synaptotagmin-1-SNARE complex in solution

Brewer, K. D., Bacaj, T., Cavalli, A., Camilloni, C., Swarbrick, J. D., Liu, J., Zhou, A., Zhou, P., Barlow, N., Xu, J., Seven, A. B., Prinslow, E. A., Voleti, R., Haussinger, D., Bonvin, A. M. J. J., Tomchick, D. R., Vendruscolo, M., Graham, B., Sudhof, T. C. & Rizo, J., 2015, In : Nature Structural and Molecular Biology. 22, 7, p. 555 - 564 10 p.

Research output: Contribution to journalArticleResearchpeer-review

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Enhancing the buccal mucosal delivery of peptide and protein therapeutics

Caon, T., Jin, L., Simoes, M. O. C., Norton, R. S. & Nicolazzo, J., 2015, In : Pharmaceutical Research. 32, 1, p. 1 - 21 21 p.

Research output: Contribution to journalArticleResearchpeer-review

Evidence for the in vitro bioactivation of aminopyrazole derivatives: trapping reactive aminopyrazole intermediates using glutathione ethyl ester in human liver microsomes

Ryan, E., Morrow, B. J., Hemley, C. F., Pinson, J-A., Charman, S. A., Chiu, F. C. K. & Foitzik, R. C., 2015, In : Chemical Research in Toxicology. 28, 9, p. 1747-1752 6 p.

Research output: Contribution to journalArticleResearchpeer-review

Examining the gastrointestinal transit of lipid-based liquid crystalline systems using whole-animal imaging

Pham, A. C., Nguyen, T-H., Nowell, C. J., Graham, B. & Boyd, B. J., 2015, In : Drug Delivery and Translational Research. 5, 6, p. 566-574 9 p.

Research output: Contribution to journalArticleResearchpeer-review

FAF-Drugs3: a web server for compound property calculation and chemical library design

Lagorce, D., Sperandio, O., Baell, J. B., Miteva, M. A. & Villoutreix, B. O., 1 Jul 2015, In : Nucleic Acids Research. 43, W1, p. W200-W207 8 p.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
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Fatty acid-binding protein 5 facilitates the blood-brain barrier transport of docosahexaenoic acid

Pan, Y., Scanlon, M., Owada, Y., Yamamoto, Y., Porter, C. J. & Nicolazzo, J., 2015, In : Molecular Pharmaceutics. 12, 12, p. 4375 - 4385 11 p.

Research output: Contribution to journalArticleResearchpeer-review

Fatty acid-binding proteins 1 and 2 differentially modulate the activation of peroxisome proliferator-activated receptor alpha in a ligand-selective manner

Hughes, M. L. R., Liu, B., Halls, M. L., Wagstaff, K. M., Patil, R., Velkov, T., Jans, D. A., Bunnett, N. W., Scanlon, M. & Porter, C. J., 2015, In : Journal of Biological Chemistry. 290, 22, p. 13895 - 13906 12 p.

Research output: Contribution to journalArticleResearchpeer-review

Fatty acid binding proteins expressed at the human blood-brain barrier bind drugs in an isoform-specific manner

Lee, G. S. Y., Kappler, K., Porter, C. J., Scanlon, M. & Nicolazzo, J., 2015, In : Pharmaceutical Research. 32, 10, p. 3432 - 3446 15 p.

Research output: Contribution to journalArticleResearchpeer-review

Generation of pseudocontact shifts in proteins with lanthanides using small "clickable" nitrilotriacetic acid and iminodiacetic acid tags

Loh, C-T., Graham, B., Abdelkader, E. H., Tuck, K. L. & Otting, G., 2015, In : Chemistry - A European Journal. 21, 13, p. 5084-5092 9 p.

Research output: Contribution to journalArticleResearchpeer-review