Research Output 1999 2018

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2017

8-Mercaptoguanine derivatives as inhibitors of dihydropteroate synthase

Dennis, M. L., Lee, M. D., Harjani, J. R., Ahmed, M., Debono, A. J., Pitcher, N. P., Wang, Z-C., Chhabra, S., Barlow, N., Rahmani, R., Cleary, B., Dolezal, O., Hattarki, M., Aurelio, L., Shonberg, J., Graham, B., Peat, T. S., Baell, J. B. & Swarbrick, J. D. 2017 (Accepted/In press) In : Chemistry-A European Journal. 10 p.

Research output: Research - peer-reviewArticle

Optimization of 2-anilino 4-amino substituted quinazolines into potent antimalarial agents with oral in vivo activity

Gilson, P. R., Tan, C., Jarman, K. E., Lowes, K. N., Curtis, J. M., Nguyen, W., Di Rago, A. E., Bullen, H. E., Prinz, B., Duffy, S., Baell, J. B., Hutton, C. A., Jousset Subroux, H., Crabb, B. S., Avery, V. M., Cowman, A. F. & Sleebs, B. E. 9 Feb 2017 In : Journal of Medicinal Chemistry. 60, 3, p. 1171-1188 18 p.

Research output: Research - peer-reviewArticle

2016

An alternative approach to the synthesis of peptides containing a cystathionine bridge

Harjani, J. R., Yap, B. K., Norton, R. S. & Baell, J. B. 9 Jun 2016 In : Tetrahedron. 72, 23, p. 3256-3261 6 p.

Research output: Research - peer-reviewArticle

A novel compound which sensitizes BRAF wild-type melanoma cells to vemurafenib in a TRIM16-dependent manner

Sutton, S. K., Carter, D. R., Kim, P., Tan, O., Arndt, G. M., Zhang, X. D., Baell, J., Noll, B. D., Wang, S., Kumar, N., McArthur, G. A., Cheung, B. B. & Marshall, G. M. 1 Aug 2016 In : OncoTarget. 7, 32, p. 52166-52178 13 p.

Research output: Research - peer-reviewArticle

Open Access

Hit-to-lead optimization of a novel class of potent, broad-spectrum trypanosomacides

Russell, S. , Rahmani, R. , Jones, A. J. , Newson, H. L. , Neilde, K. , Cotillo, I. , Rahmani Khajouei, M. , Ferrins, L. , Qureishi, S. , Nguyen, N. , Martinez-Martinez, M. S. , Weaver, D. F. , Kaiser, M. , Riley, J. , Thomas, J. , De Rycker, M. , Read, K. D. , Flematti, G. R. , Ryan, E. , Tanghe, S. & 6 others Rodriguez, A., Charman, S. A., Kessler, A., Avery, V. M., Baell, J. B. & Piggott, M. J. 10 Nov 2016 In : Journal of Medicinal Chemistry. 59, 21, p. 9686-9720 35 p.

Research output: Research - peer-reviewArticle

Metabolomics and lipidomics reveal perturbation of sphingolipid metabolism by a novel anti-trypanosomal 3-(oxazolo[4,5-b]pyridine-2-yl)anilide

Stoessel, D., Nowell, C. J., Jones, A. J., Ferrins, L., Ellis, K. M., Riley, J., Rahmani, R., Read, K. D., McConville, M. J., Avery, V. M., Baell, J. B. & Creek, D. J. 1 Jul 2016 In : Metabolomics. 12, 7, 14 p., 126

Research output: Research - peer-reviewArticle

New synthetic approaches towards analogues of bedaquiline

Priebbenow, D. L., Barbaro, L. & Baell, J. B. 28 Oct 2016 In : Organic and Biomolecular Chemistry. 14, 40, p. 9622-9628 7 p.

Research output: Research - peer-reviewArticle

Open source drug discovery: Highly potent antimalarial compounds derived from the tres cantos arylpyrroles

Williamson, A. E. , Ylioja, P. M. , Robertson, M. N. , Antonova-Koch, Y. , Avery, V. , Baell, J. , Batchu, H. , Batra, S. , Burrows, J. N. , Bhattacharyya, S. , Calderon, F. , Charman, S. , Clark, J. , Crespo, B. , Dean, M. , Debbert, S. L. , Delves, M. J. , Dennis, A. S. M. , Deroose, F. , Duffy, S. & 3 others Ryan, E., Wells, T. & White, K. 26 Oct 2016 In : ACS Central Science. 2, 10, p. 687-701 15 p.

Research output: Research - peer-reviewArticle

Open Access

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: Research - peer-reviewArticle

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: Research - peer-reviewArticle

Open Access
File

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: Research - peer-reviewArticle

Open Access
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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: Research - peer-reviewArticle

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: Research - peer-reviewArticle

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: Research - peer-reviewArticle

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: Research - peer-reviewArticle

Open Access
File

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: Research - peer-reviewArticle

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: Research - peer-reviewArticle

Open Access
File

Low cost whole-organism screening of compounds for anthelmintic activity

Preston, S., Jabbar, A., Nowell, C. J., Joachim, A., Ruttkowski, B., Baell, J. B., Cardno, T., Korhonen, P. K., Piedrafita, D. M., Ansell, B. R. E., Jex, A. R., Hofmann, A. & Gasser, R. B. 2015 In : International Journal for Parasitology. 45, 5, p. 333 - 343 11 p.

Research output: Research - peer-reviewArticle

Promiscuous 2-aminothiazoles (PrATs): a frequent hitting scaffold

Devine, S., Mulcair, M., Debono, C., Leung, E. W. W., Nissink, J. W. M., Lim, S. S., Chandrashekaran, I. R., Vazirani, M., Mohanty, B., Simpson, J. S., Baell, J. B., Scammells, P. J., Norton, R. S. & Scanlon, M. 2015 In : Journal of Medicinal Chemistry. 58, 3, p. 1205 - 1214 10 p.

Research output: Research - peer-reviewArticle

Regio- and stereoselective iodoacyloxylations of alkynes

Priebbenow, D., Gable, R. W. & Baell, J. B. 2015 In : Journal of Organic Chemistry. 80, 9, p. 4412 - 4418 7 p.

Research output: Research - peer-reviewArticle

Synthesis and evaluation of phenoxymethylbenzamide analogues as anti-trypanosomal agents

Manos-Turvey, A., Watson, E. E., Sykes, M. L., Jones, A. J., Baell, J. B., Kaiser, M., Avery, V. M. & Payne, R. J. 2015 In : MedChemComm. 6, 3, p. 403 - 406 4 p.

Research output: Other - peer-reviewArticle

2014

19F NMR as a probe of ligand interactions with the iNOS binding site of SPRY domain-containing SOCS box protein 2

Leung, E. W. W., Yagi, H., Harjani, J. R., Mulcair, M., Scanlon, M., Baell, J. B. & Norton, R. S. 2014 In : Chemical Biology and Drug Design. 84, 5, p. 616 - 625 10 p.

Research output: Research - peer-reviewArticle

A new methodology for the synthesis of 3-amino-1H-indole-2-carboxylates

Harjani, J. R., Tang, A. X., Norton, R. S. & Baell, J. B. 2014 In : Tetrahedron. 70, 43, p. 8047 - 8055 9 p.

Research output: Research - peer-reviewArticle

De-novo designed library of benzoylureas as inhibitors of BCL-XL: Synthesis, structural and biochemical characterization

Brady, R., Vom, A., Roy, M. J., Toovey, N., Smith, B. J., Moss, R. M., Hatzis, E., Huang, D. C. S., Parisot, J. P., Yang, H., Street, I. P., Colman, P. M., Czabotar, P. E., Baell, J. B. & Lessene, G. 2014 In : Journal of Medicinal Chemistry. 57, 4, p. 1323 - 1343 21 p.

Research output: Research - peer-reviewArticle

Facile synthesis and preliminary structure-activity analysis of new sulfonamides against Trypanosoma brucei

Rashad, A. A., Jones, A. J., Avery, V. M., Baell, J. B. & Keller, P. A. 2014 In : A C S Medicinal Chemistry Letters. 5, 5, p. 496 - 500 5 p.

Research output: Research - peer-reviewArticle

Hypotensive effects of ghrelin receptor agonists mediated through a novel receptor

Callaghan, B., Kosari, S., Pustovit, R. V., Sartor, D. M., Ferens, D. M., Ban, K., Baell, J. B., Nguyen, T. V., Rivera, L. R., Brock, J. A. & Furness, J. B. 2014 In : British Journal of Pharmacology. 171, 5, p. 1275 - 1286 12 p.

Research output: Research - peer-reviewArticle

Pyridyl benzamides as a novel class of potent inhibitors for the kinetoplastid Trypanosoma brucei

Ferrins, L., Gazdik, M., Rahmani, R. S., Varghese, S., Sykes, M. L., Jones, A. J., Avery, V. M., White, K. L., Ryan, E., Charman, S. A., Kaiser, M., Bergstrom, C. A. S. & Baell, J. B. 2014 In : Journal of Medicinal Chemistry. 57, 15, p. 6393 - 6402 10 p.

Research output: Research - peer-reviewArticle

Structure-based design and development of functionalized mercaptoguanine derivatives as inhibitors of the folate biosynthesis pathway enzyme 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase from Staphylococcus aureus

Dennis, M., Chhabra, S., Wang, Z-C., Debono, A. J., Dolezal, O., Newman, J., Pitcher, N. P., Rahmani, R. S., Cleary, B., Barlow, N., Hattarki, M., Graham, B., Peat, T. S., Baell, J. B. & Swarbrick, J. D. 2014 In : Journal of Medicinal Chemistry. 57, 22, p. 9612 - 9626 15 p.

Research output: Research - peer-reviewArticle

Structure-guided rescaffolding of selective antagonists of BCL-XL

Koehler, M. F. T. , Bergeron, P. , Choo, E. F. , Lau, K. , Ndubaku, C. O. , Dudley, D. A. , Gibbons, P. , Sleebs, B. , Rye, C. S. , Nikolakopoulos, G. , Bui, C. T. , Kulasegaram, S. , Kersten, W. J. A. , Smith, B. J. , Czabotar, P. E. , Colman, P. M. , Huang, D. C. S. , Baell, J. B. , Watson, K. G. , Hasvold, L. & 7 others Tao, Z-F., Wang, L., Souers, A. J., Elmore, S. W., Flygare, J. A., Fairbrother, W. J. & Lessene, G. 2014 In : A C S Medicinal Chemistry Letters. 5, 8, p. 662 - 667 6 p.

Research output: Research - peer-reviewArticle

2013

3-(Oxazolo[4,5-b]pyridin-2-yl)anilides as a novel class of potent inhibitors for the kinetoplastid Trypanosoma brucei, the causative agent for human African trypanosomiasis

Ferrins, L., Rahmani, R. S., Sykes, M. L., Jones, A. J., Avery, V. M., Teston, E., Almohaywi, B., Yin, J., Smith, J., Chris, H., White, K. L., Ryan, E., Campbell, M., Charman, S. A., Kaiser, M. & Baell, J. B. 2013 In : European Journal of Medicinal Chemistry. 66, p. 450 - 465 16 p.

Research output: Research - peer-reviewArticle

De novo design and synthesis of a mu-conotoxin KIIIA peptidomimetic

Brady, R., Zhang, M., Gable, R. W., Norton, R. S. & Baell, J. B. 2013 In : Bioorganic & Medicinal Chemistry Letters. 23, 17, p. 4892 - 4895 4 p.

Research output: Other - peer-reviewArticle

Discovery of potent and selective benzothiazole hydrazone inhibitors of Bcl-XL

Sleebs, B. , Kersten, W. J. A. , Kulasegaram, S. , Nikolakopoulos, G. , Hatzis, E. , Moss, R. M. , Parisot, J. P. , Yang, H. , Czabotar, P. E. , Fairlie, W. D. , Lee, E. F. , Adams, J. M. , Chen, L. , van Delft, M. F. , Lowes, K. N. , Wei, A. , Huang, D. C. S. , Colman, P. M. , Street, I. P. , Baell, J. B. & 2 others Watson, K. G. & Lessene, G. 2013 In : Journal of Medicinal Chemistry. 56, 13, p. 5514 - 5540 27 p.

Research output: Research - peer-reviewArticle

Drug discovery and human African trypanosomiasis: A disease less neglected?

Ferrins, L., Rahmani, R. S. & Baell, J. B. 2013 In : Future Medicinal Chemistry. 5, 15, p. 1801 - 1841 41 p.

Research output: Research - peer-reviewArticle

LIM kinase inhibition reduces breast cancer growth and invasiveness but systemic inhibition does not reduce metastasis in mice

Li, R., Doherty, J., Antonipillai, J., Chen, S., Devlin, M. G., Visser, K., Baell, J. B., Street, I. P., Anderson, R. & Bernard, O. 2013 In : Clinical and Experimental Metastasis. 30, 4, p. 483 - 495 13 p.

Research output: Research - peer-reviewArticle

Novel conjugated quinoline-indoles compromise Plasmodium falciparum mitochondrial function and show promising antimalarial activity

Teguh, S., Klonis, N., Duffy, S., Lucantoni, L., Avery, V. M., Hutton, C. A., Baell, J. B. & Tilley, L. 2013 In : Journal of Medicinal Chemistry. 56, 15, p. 6200 - 6215 16 p.

Research output: Research - peer-reviewArticle

PAINS: Relevance to tool compound discovery and fragment-based screening

Baell, J. B., Ferrins, L., Falk, H. & Nikolakopoulos, G. 2013 In : Australian Journal of Chemistry. 66, 12, p. 1483 - 1494 12 p.

Research output: Research - peer-reviewArticle

Strategies for the development of conotoxins as new therapeutic leads

Brady, R., Baell, J. B. & Norton, R. S. 2013 In : Marine Drugs. 11, 7, p. 2293 - 2313 21 p.

Research output: Research - peer-reviewArticle

Open Access

Structural basis for modulation of a G-protein-coupled receptor by allosteric drugs

Dror, R., Green, H. F., Valant, C., Borhani, D. W., Valcourt, J. R., Pan, A. C., Arlow, D. H., Canals, M., Lane, J. R. D., Rahmani, R. S., Baell, J. B., Sexton, P., Christopoulos, A. & Shaw, D. E. 2013 In : Nature. 503, 7475, p. 295 - 299 5 p.

Research output: Research - peer-reviewArticle

Structure-guided design of a selective BCL-XL inhibitor

Lessene, G. , Czabotar, P. E. , Sleebs, B. , Zobel, K. , Lowes, K. , Adams, J. M. , Baell, J. B. , Colman, P. M. , Deshayes, K. , Fairbrother, W. J. , Flygare, J. A. , Gibbons, P. , Kersten, W. J. A. , Kulasegaram, S. , Moss, R. M. , Parisot, J. P. , Smith, B. J. , Street, I. P. , Yang, H. , Huang, D. C. S. & 1 others Watson, K. G. 2013 In : Nature Chemical Biology. 9, 6, p. 390 - 400 11 p.

Research output: Research - peer-reviewArticle

2012

Established and emerging trends in computational drug discovery in the structural genomics era

Taboureau, O., Baell, J. B., Fernandez-Recio, J. & Villoutreix, B. O. 2012 In : Chemistry and Biology. 19, 1, p. 29 - 41 13 p.

Research output: Research - peer-reviewArticle

Identification of compounds with anti-proliferative activity against Trypanosoma brucei brucei strain 427 by a whole cell viability based HTS campaign

Sykes, M. L., Baell, J. B., Kaiser, M., Chatelain, E., Moawad, S. R., Ganame, D., Ioset, J. R. & Avery, V. M. 2012 In : PLoS Neglected Tropical Diseases. 6, 11, 14 p., e1896

Research output: Research - peer-reviewArticle

Open Access
File

IP issues facing researchers by Gino D'Oca

Almarsson, O., Angiolini, M., Baell, J., Giardina, G., Ingham, A., Hughes, A., Pevarello, P. & Sindelar, R. 1 May 2012 In : Pharmaceutical Patent Analyst. 1, 2, p. 129-135 7 p.

Research output: Other - peer-reviewArticle

Omega-Conotoxin GVIA mimetics that bind and inhibit neuronal Ca v2.2 ion channels

Tranberg, C. E., Yang, A., Vetter, I., McArthur, J. R., Baell, J. B., Lewis, R. J., Tuck, K. L. & Duggan, P. 2012 In : Marine Drugs. 10, 10, p. 2349 - 2368 20 p.

Research output: Research - peer-reviewArticle

Open Access

Sites of action of ghrelin receptor ligands in cardiovascular control

Callaghan, B., Hunne, B., Hirayama, H., Sartor, D. M., Nguyen, T. V., Abogadie, F. C., Ferens, D. M., McIntyre, P. B., Ban, K., Baell, J. B., Furness, J. B. & Brock, J. A. 2012 In : American Journal of Physiology-Heart and Circulatory Physiology. 303, 8, p. 1011 - 1021 11 p.

Research output: Research - peer-reviewArticle

Synthesis of conformationally constrained benzoylureas as BH3-mimetics

Brady, R., Hatzis, E., Connor, T., Street, I. P., Baell, J. B. & Lessene, G. 2012 In : Organic and Biomolecular Chemistry. 10, 27, p. 5230 - 5237 8 p.

Research output: Research - peer-reviewArticle

2011

An efficient high-throughput screening method for MYST family acetyltransferases, a new class of epigenetic drug targets

Falk, H., Connor, T., Yang, H., Loft, K. J., Alcindor, J. L., Nikolakopoulos, G., Surjadi, R. N., Bentley, J. D., Hattarki, M., Dolezal, O., Murphy, J. M., Monahan, B., Peat, T., Thomas, T., Baell, J. B., Parisot, J. P. & Street, I. P. 2011 In : Journal of Biomolecular Screening. 16, 10, p. 1196 - 1205 10 p.

Research output: Research - peer-reviewArticle