The University of Queensland

An evaluation of Minor Groove Binders as anti-fungal and anti-mycobacterial therapeutics

Scott, Fraser J., Nichol, Ryan J. O., Khalaf, Abedawn I., Giordani, Federica, Gillingwater, Kirsten, Ramu, Soumya, Elliott, Alysha, Zuegg, Johannes, Duffy, Paula, Rosslee, Michael-Jon, Hlaka, Lerato, Kumar, Santosh, Ozturk, Mumin, Brombacher, Frank, Barrett, Michael, Guler, Reto and Suckling, Colin J. (2017) An evaluation of Minor Groove Binders as anti-fungal and anti-mycobacterial therapeutics. European Journal of Medicinal Chemistry, 136 561-572. doi:10.1016/j.ejmech.2017.05.039

Institutional profile: Community for Open Antimicrobial Drug Discovery - crowdsourcing new antibiotics and antifungals

Desselle, Mathilde R., Neale, Ruth, Hansford, Karl A., Zuegg, Johannes, Elliott, Alysha G., Cooper, Matthew A. and Blaskovich, Mark A. T. (2017) Institutional profile: Community for Open Antimicrobial Drug Discovery - crowdsourcing new antibiotics and antifungals. Future Science OA, 3 2: . doi:10.4155/fsoa-2016-0093

Small-molecule inhibitors of the SOX18 transcription factor

Fontaine, Frank, Overman, Jeroen, Moustaqil, Mehdi, Mamidyala, Sreeman, Salim, Angela, Narasimhan, Kamesh, Prokoph, Nina, Robertson, Avril A. B., Lua, Linda, Alexandrov, Kirill, Koopman, Peter, Capon, Robert J., Sierecki, Emma, Gambin, Yann, Jauch, Ralf, Cooper, Matthew A., Zuegg, Johannes and Francois, Mathias (2017) Small-molecule inhibitors of the SOX18 transcription factor. Chemistry Chemical Biology, 24 3: 346-359. doi:10.1016/j.chembiol.2017.01.003

Pharmacological targeting of the transcription factor SOX18 delays breast cancer in mice

Overman, Jeroen, Fontaine, Frank, Moustaqil, Mehdi, Mittal, Deepak, Sierecki, Emma, Sacilotto, Natalia, Zuegg, Johannes, Robertson, Avril A. B., Holmes, Kelly, Salim, Angela A., Mamidyala, Sreeman, Butler, Mark S., Robinson, Ashley S., Lesieur, Emmanuelle, Johnston, Wayne, Alexandrov, Kirill, Black, Brian L., Hogan, Benjamin M., De Val, Sarah, Capon, Robert J., Carroll, Jason S., Bailey, Timothy L., Koopman, Peter, Jauch, Ralf, Smyth, Mark J., Cooper, Matthew A., Gambin, Yann and Francois, Mathias (2017) Pharmacological targeting of the transcription factor SOX18 delays breast cancer in mice. eLife, 6 . doi:10.7554/eLife.21221

Contribution of amphipathicity and hydrophobicity to the antimicrobial activity and cytotoxicity of β‑hairpin peptides

Edwards, Ingrid A., Elliott, Alysha G., Kavanagh, Angela M., Zuegg, Johannes, Blaskovich, Mark A. T. and Cooper, Matthew A. (2016) Contribution of amphipathicity and hydrophobicity to the antimicrobial activity and cytotoxicity of β‑hairpin peptides. ACS Infectious Diseases, 2 6: 442-450. doi:10.1021/acsinfecdis.6b00045

Targeting bacterial cell wall peptidoglycan synthesis by inhibition of glycosyltransferase activity

Mesleh, Michael F., Rajaratnam, Premraj, Conrad, Mary, Chandrasekaran, Vasu, Liu, Christopher M., Pandya, Bhaumik A., Hwang, You Seok, Rye, Peter T., Muldoon, Craig, Becker, Bernd, Zuegg, Johannes, Meutermans, Wim and Moy, Terence I. (2016) Targeting bacterial cell wall peptidoglycan synthesis by inhibition of glycosyltransferase activity. Chemical Biology and Drug Design, 87 2: 190-199. doi:10.1111/cbdd.12662

Metronidazole-triazole conjugates: activity against Clostridium difficile and parasites

Jarrad, Angie M., Karoli, Tomislav, Anjan, Debnath, Tay, Chin Yen, Huang, Johnny X., Kaeslin, Geraldine, Elliott, Alysha G., Miyamoto, Yukiko, Ramu, Soumya, Kavanagh, Angela M., Zuegg, Johannes, Eckmann, Lars, Blaskovich, Mark A. and Cooper, Matthew A. (2015) Metronidazole-triazole conjugates: activity against Clostridium difficile and parasites. European Journal of Medicinal Chemistry, 101 96-102. doi:10.1016/j.ejmech.2015.06.019

Carbohydrate scaffolds as glycosyltransferase inhibitors with in vivo antibacterial activity

Zuegg, Johannes, Muldoon, Craig, Adamson, George, McKeveney, Declan, Le Thanh, Giang, Premraj, Rajaratnam, Becker, Bernd, Cheng, Mu, Elliott, Alysha G., Huang, Johnny X., Butler, Mark S., Bajaj, Megha, Seifert, Joachim, Singh, Latika, Galley, Nicola F., Roper, David I., Lloyd, Adrian J., Dowson, Christopher G., Cheng, Ting-Jen, Cheng, Wei-Chieh, Demon, Dieter, Meyer, Evelyne, Meutermans, Wim and Cooper, Matthew A. (2015) Carbohydrate scaffolds as glycosyltransferase inhibitors with in vivo antibacterial activity. Nature Communications, 6 1-11. doi:10.1038/ncomms8719

Helping chemists discover new antibiotics

Blaskovich, Mark A. T., Zuegg, Johannes, Elliott, Alysha G. and Cooper, Matthew (2015) Helping chemists discover new antibiotics. ACS Infectious Diseases, 1 7: 285-287. doi:10.1021/acsinfecdis.5b00044

Discovery of novel pneumococcal surface antigen A (PsaA) inhibitors using a fragment-based drug design approach

Bajaj, Megha, Mamidyala, Sreeman K., Zuegg, Johannes, Begg, Stephanie L., Ween, Miranda P., Luo, Zhenyao, Huang, Johnny Xiao, McEwan, Alastair G., Kobe, Bostjan, Paton, James C., McDevitt, Christopher A. and Cooper, Matthew A. (2015) Discovery of novel pneumococcal surface antigen A (PsaA) inhibitors using a fragment-based drug design approach. ACS Chemical Biology, 10 6: 1511-1520. doi:10.1021/cb501032x

An azido-oxazolidinone antibiotic for live bacterial cell imaging and generation of antibiotic variants

Phetsang, Wanida, Blaskovich, Mark A. T., Butler, Mark S., Huang, Johnny Xiao, Zuegg, Johannes, Mamidyala, Sreeman K., Ramu, Soumya, Kavanagh, Angela M. and Cooper, Matthew A. (2014) An azido-oxazolidinone antibiotic for live bacterial cell imaging and generation of antibiotic variants. Bioorganic and Medicinal Chemistry, 22 16: 4490-4498. doi:10.1016/j.bmc.2014.05.054

Imperfect coordination chemistry facilitates metal ion release in the Psa permease

Couñago, Rafael M., Ween, Miranda P., Begg, Stephanie L., Bajaj, Megha, Zuegg, Johannes, O'Mara, Megan L., Cooper, Matthew A., McEwan, Alastair G., Paton, James C., Kobe, Bostjan and McDevitt, Christopher A. (2014) Imperfect coordination chemistry facilitates metal ion release in the Psa permease. Nature Chemical Biology, 10 1: 35-41. doi:10.1038/nCHeMBIO.1382

Vancomycin: ligand recognition, dimerization and super-complex formation

Jia, ZhiGuang, O'Mara, Megan L., Zuegg, Johannes, Cooper, Matthew A. and Mark, Alan E. (2013) Vancomycin: ligand recognition, dimerization and super-complex formation. FEBS Journal, 280 5: 1294-1307. doi:10.1111/febs.12121

Erratum: The effect of environment on the recognition and binding of vancomycin to native and resistant forms of lipid II (Biophysical Journal (2011) 101 (2684-2692))

Jia, Z. G., O'Mara, M. L., Zuegg, J., Matthew Cooper and Mark, Alan (2013) Erratum: The effect of environment on the recognition and binding of vancomycin to native and resistant forms of lipid II (Biophysical Journal (2011) 101 (2684-2692)). Biophysical Journal, 104 2: 516-516. doi:10.1016/j.bpj.2012.12.031

Variation of the net charge, lipophilicity, and side chain flexibility in Dmt(1)-DALDA: effect on opioid activity and biodistribution

Novoa, Alexandre, Van Dorpe, Sylvia, Wynendaele, Evelien, Spetea, Mariana, Bracke, Nathalie, Stalmans, Sofie, Betti, Cecilia, Chung, Nga N., Lemieux, Carole, Zuegg, Johannes, Cooper, Matthew A., Tourwe, Dirk, De Spiegeleer, Bart, Schiller, Peter W. and Ballet, Steven (2012) Variation of the net charge, lipophilicity, and side chain flexibility in Dmt(1)-DALDA: effect on opioid activity and biodistribution. Journal of Medicinal Chemistry, 55 22: 9549-9561. doi:10.1021/jm3008079

Identification of antitubercular benzothiazinone compounds by ligand-based design

Karoli, Tomislav, Becker, Bernd, Zuegg, Johannes, Moellmann, Ute, Ramu, Soumya, Huang, Johnny X. and Cooper, Matthew A. (2012) Identification of antitubercular benzothiazinone compounds by ligand-based design. Journal of Medicinal Chemistry, 55 17: 7940-7944. doi:10.1021/jm3008882

Drug-likeness and increased hydrophobicity of commercially available compound libraries for drug screening

Zuegg, Johannes and Cooper, Matthew A. (2012) Drug-likeness and increased hydrophobicity of commercially available compound libraries for drug screening. Current Topics in Medicinal Chemistry, 12 14: 1500-1513. doi:10.2174/156802612802652466

Structure aided design of chimeric antibiotics

Karoli, Tomislav, Mamidyala, Sreeman K., Zuegg, Johannes, Fry, Scott R., Tee, Ernest H. L., Bradford, Tanya A., Madala, Praveen K., Huang, Johnny X., Ramu, Soumya, Butler, Mark S. and Cooper, Matthew A. (2012) Structure aided design of chimeric antibiotics. Bioorganic & Medicinal Chemistry Letters, 22 7: 2428-2433. doi:10.1016/j.bmcl.2012.02.019

The effect of environment on the recognition and binding of vancomycin to native and resistant forms of lipid II

Jia, ZhiGuang, O'Mara, Megan L., Zuegg, Johannes, Cooper, Matthew A. and Mark, Alan E. (2011) The effect of environment on the recognition and binding of vancomycin to native and resistant forms of lipid II. Biophysical Journal, 101 11: 2684-2692. doi:10.1016/j.bpj.2011.10.047

Membrane binding and perturbation studies of the antimicrobial peptides caerin, citropin and maculatin

Chia, C. S. Brian, Gong, Yujing, Bowie, John H., Zuegg, Johannes and Cooper, Matthew A. (2011) Membrane binding and perturbation studies of the antimicrobial peptides caerin, citropin and maculatin. Peptide Science, 96 2: 147-157. doi:10.1002/bip.21438

Biological diversity from a structurally diverse library: Systematically scanning conformational space using a pyranose scaffold

Abbenante, Giovanni, Becker, Bernd, Blanc, Sebastien, Clark, Chris, Condie, Glenn, Fraser, Graeme, Grathwohl, Matthias, Halliday, Judy, Henderson, Senka, Lam, Ann, Liu, Ligong, Mann, Maretta, Muldoon, Craig, Pearson, Andrew, Premraj, Rajaratnam, Ramsdale, Tracie, Rossetti, Tony, Schafer, Karl, Le Thanh, Giang, Tometzki, Gerald, Vari, Frank, Verquin, Geraldine, Waanders, Jennifer, West, Michael, Wimmer, Norbert, Yau, Annika, Zuegg, Johannes and Meutermans, Wim (2010) Biological diversity from a structurally diverse library: Systematically scanning conformational space using a pyranose scaffold. Journal of Medicinal Chemistry, 53 15: 5576-5586. doi:10.1021/jm1002777

A versatile synthetic approach toward diversity libraries using monosaccharide scaffolds

Thanh, Giang Le, Abbenante, Giovanni, Adamson, George, Becker, Bernd, Clark, Chris, Condie, Glenn, Falzun, Tania, Grathwohl, Matthias, Gupta, Praveer, Hanson, Michael, Huynh, Ngoc, Katavic, Peter, Kuipers, Krystle, Lam, Ann, Liu, Ligong, Mann, Maretta, Mason, Jeff, McKeveney, Declan, Muldoon, Craig, Pearson, Andrew, Rajaratnam, Premraj, Ryan, Sarah, Tometzki, Gerry, Verquin, Geraldine, Waanders, Jennifer, West, Michael, Wilcox, Neil, Wimmer, Norbert, Yau, Annika, Zuegg, Johannes and Meutermans, Wim (2010) A versatile synthetic approach toward diversity libraries using monosaccharide scaffolds. Journal of Organic Chemistry, 75 1: 197-203. doi:10.1021/jo9021919

A probabilistic measure for alignment-free sequence comparison

Pham T.D. and Zuegg J. (2004) A probabilistic measure for alignment-free sequence comparison. Bioinformatics, 20 18: 3455-3461. doi:10.1093/bioinformatics/bth426

Comparison of electrostatic potential around proteins calculated from Amber and AM1 charges: application to mutants of prion protein

Zuegg, J, Bliznyuk, AA and Gready, JE (2003) Comparison of electrostatic potential around proteins calculated from Amber and AM1 charges: application to mutants of prion protein. Molecular Physics, 101 15: 2437-2450. doi:10.1080/00268970310001592737

Molecular diversity through sugar scaffolds

Le, GT, Abbenante, G, Becker, B, Grathwohl, M, Halliday, J, Tometzki, G, Zuegg, J and Meutermans, W (2003) Molecular diversity through sugar scaffolds. Drug Discovery Today, 8 15: 701-709. doi:10.1016/S1359-6446(03)02751-X

Structural model of human IL-13 defines the spatial interactions with the IL-13Rα/IL-4Rα receptor

Zuegg, J., Webb, D. C., Foster, P. S. and Casarotto, M. G. (2001) Structural model of human IL-13 defines the spatial interactions with the IL-13Rα/IL-4Rα receptor. Immunology and Cell Biology, 79 4: 332-339. doi:10.1046/j.1440-1711.2001.01035.x

Identification of active-site residues of the pro-metastatic endoglycosidase heparanase

Hulett M.D., Hornby J.R., Ohms S.J., Zuegg J., Freeman C., Gready J.E. and Parish C.R. (2000) Identification of active-site residues of the pro-metastatic endoglycosidase heparanase. Biochemistry, 39 51: 15659-15667. doi:10.1021/bi002080p

Molecular dynamics simulation of human prion protein including both N-linked oligosaccharides and the GPI anchor

Zuegg, J and Gready, JE (2000) Molecular dynamics simulation of human prion protein including both N-linked oligosaccharides and the GPI anchor. Glycobiology, 10 10: 959-974. doi:10.1093/glycob/10.10.959

Molecular dynamics simulations of human prion protein: Importance of correct treatment of electrostatic interactions

Zuegg J. and Gready J.E. (1999) Molecular dynamics simulations of human prion protein: Importance of correct treatment of electrostatic interactions. Biochemistry, 38 42: 13862-13876. doi:10.1021/bi991469d

Three-dimensional structures of enzyme-substrate complexes of the hydroxynitrile lyase from Hevea brasiliensis

Zuegg, J, Gruber, K, Gugganig, M, Wagner, UG and Kratky, C (1999) Three-dimensional structures of enzyme-substrate complexes of the hydroxynitrile lyase from Hevea brasiliensis. Protein Science, 8 10: 1990-2000.

Molecular reasons for lipase-sensitivity against acetaldehyde

Weber H.K., Zuegg J., Faber K. and Pleiss J. (1997) Molecular reasons for lipase-sensitivity against acetaldehyde. Journal of Molecular Catalysis - B Enzymatic, 3 1-4: 131-138. doi:10.1016/S1381-1177(96)00045-8

Selectivity of lipases: Conformational analysis of suggested intermediates in ester hydrolysis of chiral primary and secondary alcohols

Zuegg J., Honig H., Schrag J.D. and Cygler M. (1997) Selectivity of lipases: Conformational analysis of suggested intermediates in ester hydrolysis of chiral primary and secondary alcohols. Journal of Molecular Catalysis - B Enzymatic, 3 1-4: 83-98. doi:10.1016/S1381-1177(96)00060-4

Molecular cloning and homology modeling of protocatechuate 3,4-dioxygenase from Pseudomonas marginata

Petersen, EI, Zuegg, J, Ribbons, DW and Schwab, H (1996) Molecular cloning and homology modeling of protocatechuate 3,4-dioxygenase from Pseudomonas marginata. Microbiological Research, 151 4: 359-370.

On the Prediction of the Enantioselectivity of Candida-Rugosa Lipase by Comparative Molecular-Field Analysis

Faber, K, Griengl, H, Honig, H and Zuegg, J (1994) On the Prediction of the Enantioselectivity of Candida-Rugosa Lipase by Comparative Molecular-Field Analysis. Biocatalysis, 9 1-4: 227-239. doi:10.3109/10242429408992122

Improved Computer-Simulation of Metathesis Reactions

Martl, MG, Zuegg, J and Hummel, K (1991) Improved Computer-Simulation of Metathesis Reactions. Journal of Molecular Catalysis, 65 1-2: 127-138. doi:10.1016/0304-5102(91)85089-K

Carbohydrate-based combinatorial libraries for the discovery of new antibacterial agents

Adamson, G, Schafer, K, Louis, L, Tometzki, G, Le Thanh, G, Schliebs, D, West, M, Zuegg, J, Halliday, J and Meutermans, W (2001). Carbohydrate-based combinatorial libraries for the discovery of new antibacterial agents. In: Glycobiology. , , (902-902). .

Selective Inhibitors

Tometzki, Gerald B., Meutermans, Wim, Becker, Bernd, Zuegg, Johannes, Premraj, Rajaratnam, Muldoon, Craig, Mckeveney, Declan and Condie, Glenn (2008). Selective Inhibitors. US 20080009418.

Monosaccharide compounds as antibacterial agents and their preparation and use in the treatment of diseases

Meutermans, Wim, Mckeveney, Declan, Zuegg, Johannes, Premraj, Rajaratnam, Muldoon, Craig and Le Thanh, Giang (2007). Monosaccharide compounds as antibacterial agents and their preparation and use in the treatment of diseases. .

Selective inhibitors

Becker, Bernd, Condie, Glenn, Christopher, McKeveney, Declan, Meutermans, Wim, Muldoon, Craig, Premraj, Rajaratnam and Zuegg, Johannes (2006). Selective inhibitors. WO/2006/037159; PCT/AU2005/001510.

Biologically active compounds with with anti-angiogenic properties

Becker, Bernd, Condie, Glenn, Halliday, Judy, McKeveney, Declan, Meutermans, Wim, Muldoon, Craig, Premraj, Rajaratnam, Ramsdale, Tracie Elizabeth, Tometzki, Gerald and Zuegg, Johannes (2005). Biologically active compounds with with anti-angiogenic properties. WO/2005/097142; PCT/AU2005/000506.