Research Output 1977 2019

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2016
8 Citations (Scopus)
16 Citations (Scopus)

Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions

Drinkwater, N., Vinh, N. B., Mistry, S. N., Bamert, R. S., Ruggeri, C., Holleran, J. P., Loganathan, S., Paiardini, A., Charman, S. A., Powell, A. K., Avery, V. M., McGowan, S. & Scammells, P. J., 3 Mar 2016, In : European Journal of Medicinal Chemistry. 110, p. 43-64 22 p.

Research output: Contribution to journalArticleResearchpeer-review

3 Citations (Scopus)

Protein unfolding is essential for cleavage within the α-helix of a model protein substrate by the serine protease, thrombin

Robertson, A. L., Headey, S. J., Ng, N. M., Wijeyewickrema, L. C., Scanlon, M. J., Pike, R. N. & Bottomley, S. P., Mar 2016, In : Biochimie. 122, p. 227-234 8 p.

Research output: Contribution to journalArticleResearchpeer-review

14 Citations (Scopus)

Pulmonary delivery of the Kv1.3-blocking peptide HsTX1[R14A] for the treatment of autoimmune diseases

Jin, L., Zhou, Q. T., Chan, H-K., Larson, I. C., Pennington, M. W., Morales, R. A. V., Boyd, B. J., Norton, R. S. & Nicolazzo, J. A., 1 Feb 2016, In : Journal of Pharmaceutical Sciences. 105, 2, p. 650-656 7 p.

Research output: Contribution to journalArticleResearchpeer-review

8 Citations (Scopus)

Pulse EPR-enabled interpretation of scarce pseudocontact shifts induced by lanthanide binding tags

Abdelkader, E. H., Yao, X., Feintuch, A., Adams, L. A., Aurelio, L., Graham, B., Goldfarb, D. & Otting, G., 2016, In : Journal of Biomolecular NMR. 64, 1, p. 39-51 13 p.

Research output: Contribution to journalArticleResearchpeer-review

3 Citations (Scopus)

Quantitation of polymyxin-lipopolysaccharide interactions using an image-based fluorescent probe

McInerney, M. P., Roberts, K. D., Thompson, P. E., Li, J., Nation, R. L., Velkov, T. & Nicolazzo, J. A., 2016, In : Journal of Pharmaceutical Sciences. 105, 2, p. 1006-1010 5 p.

Research output: Contribution to journalArticleResearchpeer-review

31 Citations (Scopus)

Recent advances, and unresolved issues, in the application of computational modelling to the prediction of the biological effects of nanomaterials

Winkler, D. A., 2016, In : Toxicology and Applied Pharmacology. 299, SI, p. 96-100 5 p.

Research output: Contribution to journalArticleResearchpeer-review

10 Citations (Scopus)

Redox-stable cyclic peptide inhibitors of the SPSB2-iNOS interaction

Yap, B. K., Harjani, J. R., Leung, E. W. W., Nicholson, S. E., Scanlon, M. J., Chalmers, D. K., Thompson, P. E., Baell, J. B. & Norton, R. S., 1 Mar 2016, In : FEBS Letters. 590, 6, p. 696-704 9 p.

Research output: Contribution to journalArticleResearchpeer-review

24 Citations (Scopus)

RIDME distance measurements using Gd(III) tags with a narrow central transition

Collauto, A., Frydman, V., Lee, M. D., Abdelkader, E. H., Feintuch, A., Swarbrick, J. D., Graham, B., Otting, G. & Goldfarb, D., 2016, In : Physical Chemistry Chemical Physics. 18, 28, p. 19037-19049 13 p.

Research output: Contribution to journalArticleResearchpeer-review

20 Citations (Scopus)

Role of the second extracellular loop of the adenosine A1 receptor on allosteric modulator binding, signaling, and cooperativity

Nguyen, A. T. N., Vecchio, E. A., Thomas, T., Nguyen, T. D., Aurelio, L., Scammells, P. J., White, P. J., Sexton, P. M., Gregory, K. J., May, L. T. & Christopoulos, A., 1 Dec 2016, In : Molecular Pharmacology. 90, 6, p. 715-725 11 p.

Research output: Contribution to journalArticleResearchpeer-review

9 Citations (Scopus)

Selective inhibition of apicoplast tryptophanyl-tRNA synthetase causes delayed death in Plasmodium falciparum

Pasaje, C. F. A., Cheung, V., Kennedy, K., Lim, E. E., Baell, J. B., Griffin, M. D. W. & Ralph, S. A., 9 Jun 2016, In : Scientific Reports. 6, 13 p., 27531.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
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5 Citations (Scopus)

Selenophene and thiophene-core estrogen receptor ligands that inhibit motility and development of parasitic stages of Haemonchus contortus

Preston, S., Luo, J., Zhang, Y., Jabbar, A., Crawford, S., Baell, J., Hofmann, A., Hu, M., Zhou, H-B. & Gasser, R. B., 16 Jun 2016, In : Parasites and Vectors. 9, 1, 11 p., 346.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
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25 Citations (Scopus)

Sensitive NMR approach for determining the binding mode of tightly binding ligand molecules to protein targets

Chen, W-N., Nitsche, C., Pilla, K. B., Graham, B., Huber, T., Klein, C. D. & Otting, G., 2016, In : Journal of the American Chemical Society. 138, 13, p. 4539-4546 8 p.

Research output: Contribution to journalArticleResearchpeer-review

4 Citations (Scopus)

Sequence-specific assignment of methyl groups from the neuronal SNARE complex using lanthanide-induced pseudocontact shifts

Pan, Y-Z., Quade, B., Brewer, K. D., Szabo, M., Swarbrick, J. D., Graham, B. & Rizo, J., 1 Dec 2016, In : Journal of Biomolecular NMR. 66, 4, p. 281-293 13 p.

Research output: Contribution to journalArticleResearchpeer-review

5 Citations (Scopus)

Solution NMR characterization of apical membrane antigen 1 and small molecule interactions as a basis for designing new antimalarials

Krishnarjuna, B., Lim, S. S., Devine, S. M., Debono, C. O., Lam, R., Chandrashekaran, I. R., Jaipuria, G., Yagi, H., Atreya, H. S., Scanlon, M. J., MacRaild, C. A., Scammells, P. J. & Norton, R. S., 1 Jun 2016, In : Journal of Molecular Recognition. 29, 6, p. 281-291 11 p.

Research output: Contribution to journalArticleResearchpeer-review

9 Citations (Scopus)

Stereoselective synthesis and structural elucidation of dicarba peptides

Gleeson, E. C., Wang, Z. J., Robinson, S. D., Chhabra, S., MacRaild, C. A., Jackson, W. R., Norton, R. S. & Robinson, A. J., 2016, In : Chemical Communications. 52, 24, p. 4446-4449 4 p.

Research output: Contribution to journalArticleResearchpeer-review

7 Citations (Scopus)

Strain-transcending immune response generated by chimeras of the malaria vaccine candidate merozoite surface protein 2

Krishnarjuna, B., Andrew, D., MacRaild, C. A., Morales, R. A. V., Beeson, J. G., Anders, R. F., Richards, J. S. & Norton, R. S., 11 Feb 2016, In : Scientific Reports. 6, 12 p., 20613.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
3 Citations (Scopus)

Structural basis for the inhibition of voltage-gated sodium channels by conotoxin μO§-GVIIJ

Green, B. R., Gajewiak, J., Chhabra, S., Skalicky, J. J., Zhang, M. M., Rivier, J. E., Bulaj, G., Olivera, B. M., Yoshikami, D. & Norton, R., 25 Mar 2016, In : Journal of Biological Chemistry. 291, 13, p. 7205-7220 16 p.

Research output: Contribution to journalArticleResearchpeer-review

4 Citations (Scopus)

Structural basis for the selective binding of inhibitors to 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase from Staphylococcus aureus and Escherichia coli

Dennis, M. L., Pitcher, N. P., Lee, M. D., Debono, A. J., Wang, Z-C., Harjani, J. R., Rahmani, R., Cleary, B., Peat, T. S., Baell, J. B. & Swarbrick, J. D., 9 Jun 2016, In : Journal of Medicinal Chemistry. 59, 11, p. 5248-5263 16 p.

Research output: Contribution to journalArticleResearchpeer-review

9 Citations (Scopus)

Structure–activity studies of β-hairpin peptide inhibitors of the Plasmodium falciparum AMA1–RON2 interaction

Wang, G., Drinkwater, N., Drew, D. R., MacRaild, C. A., Chalmers, D. K., Mohanty, B., Lim, S. S., Anders, R. F., Beeson, J. G., Thompson, P. E., McGowan, S., Simpson, J. S., Norton, R. S. & Scanlon, M. J., 9 Oct 2016, In : Journal of Molecular Biology. 428, 20, p. 3986-3998 13 p.

Research output: Contribution to journalArticleResearchpeer-review

5 Citations (Scopus)

Structure and substrate fingerprint of aminopeptidase P from Plasmodium falciparum

Drinkwater, N., Kannan Sivaraman, K., Bamert, R. S., Rut, W., Mohamed, K., Vinh, N. B., Scammells, P. J., Drag, M. & McGowan, S., 27 Sep 2016, In : Biochemical Journal. 473, 19, p. 3189-3204 16 p.

Research output: Contribution to journalArticleResearchpeer-review

57 Citations (Scopus)

Subtype-selective small molecule inhibitors reveal a fundamental role for Nav1.7 in nociceptor electrogenesis, axonal conduction and presynaptic release

Alexandrou, A. J., Brown, A. R., Chapman, M. L., Estacion, M., Turner, J., Mis, M. A., Wilbrey, A., Payne, E. C., Gutteridge, A., Cox, P. J., Doyle, R., Printzenhoff, D., Lin, Z., Marron, B. E., West, C., Swain, N. A., Storer, R. I., Stupple, P. A., Castle, N. A., Hounshell, J. A. & 8 others, Rivara, M., Randall, A., Dib-Hajj, S. D., Krafte, D. S., Waxman, S. G., Patel, M. K., Butt, R. P. & Stevens, E. B., 1 Apr 2016, In : PLoS ONE. 11, 4, 22 p., e0152405.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
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19 Citations (Scopus)

Synthesis, structure elucidation, DNA-PK and PI3K and anti-cancer activity of 8- and 6-aryl-substituted-1-3-benzoxazines

Morrison, R., Al-Rawi, J. M. A., Jennings, I. G., Thompson, P. E. & Angove, M. J., 3 Mar 2016, In : European Journal of Medicinal Chemistry. 110, p. 326-339 14 p.

Research output: Contribution to journalArticleResearchpeer-review

2 Citations (Scopus)

Synthesis and phosphate ester cleavage properties of copper(II) complexes of guanidinium-bridged bis(1,4,7-triazacyclononane) ligands

Tjioe, L., Joshi, T., Graham, B. & Spiccia, L., 2016, In : Polyhedron. 120, p. 11-17 7 p.

Research output: Contribution to journalArticleResearchpeer-review

3 Citations (Scopus)

Synthesis of 3-(alkylamino)-, 3-(alkoxy)-, 3-(aryloxy)-, 3-(alkylthio)-, and 3-(arylthio)-1,2,4-triazines by using a unified route with 3-(methylsulfonyl)-1,2,4-triazine

Shi, D. H., Harjani, J. R., Gable, R. W. & Baell, J. B., 1 Jun 2016, In : European Journal of Organic Chemistry. 2016, 16, p. 2842-2850 9 p.

Research output: Contribution to journalArticleResearchpeer-review

4 Citations (Scopus)

Synthesis of linear and angular aryl-morpholino-naphth-oxazines, their DNA-PK, PI3K, PDE3A and antiplatelet activity

Morrison, R., Zheng, Z., Jennings, I. G., Thompson, P. E. & Al-Rawi, J. M. A., 2016, In : Bioorganic and Medicinal Chemistry Letters. 26, 22, p. 5534-5538 5 p.

Research output: Contribution to journalArticleResearchpeer-review

6 Citations (Scopus)

The Chromatin Remodelling Protein CHD1 Contains a Previously Unrecognised C-Terminal Helical Domain

Mohanty, B., Helder, S., Silva, A. P. G., Mackay, J. P. & Ryan, D. P., 23 Oct 2016, In : Journal of Molecular Biology. 428, 21, p. 4298-4314 17 p.

Research output: Contribution to journalArticleResearchpeer-review

15 Citations (Scopus)

The dopamine D2 receptor dimer and its interaction with homobivalent antagonists: homology modeling, docking and molecular dynamics

Kaczor, A. A., Jorg, M. & Capuano, B., 1 Sep 2016, In : Journal of Molecular Modeling. 22, 9, 14 p., 203.

Research output: Contribution to journalArticleResearchpeer-review

52 Citations (Scopus)

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

15 Citations (Scopus)

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

117 Citations (Scopus)

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
24 Citations (Scopus)

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

4 Citations (Scopus)

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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2 Citations (Scopus)

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

52 Citations (Scopus)

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

28 Citations (Scopus)

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

45 Citations (Scopus)

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 others, Smith, 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

11 Citations (Scopus)

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
10 Citations (Scopus)

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

12 Citations (Scopus)

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

19 Citations (Scopus)

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

1 Citation (Scopus)

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

29 Citations (Scopus)

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

6 Citations (Scopus)

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

20 Citations (Scopus)

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

8 Citations (Scopus)

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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5 Citations (Scopus)

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

159 Citations (Scopus)

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