Research Output 1977 2019

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2002
4 Citations (Scopus)

Database searching for Thymidine and Thymidylate Kinase Inhibitors Using Three-dimensional Structure-based Methods

Manallack, D. T., Pitt, W. R., Herdewijn, P., Balzarini, J., De Clercq, E., Sanderson, M., Sohi, M., Wien, F., Munier-Lehmann, H., Haouz, A. & Delarue, M., 2002, In : Journal of Enzyme Inhibition and Medicinal Chemistry. 17, 3, p. 167 - 174 8 p.

Research output: Contribution to journalArticleResearchpeer-review

123 Citations (Scopus)

Design and preparation of room-temperature ionic liquids containing biodegradable side chains

Gathergood, N. & Scammells, P., 2002, In : Australian Journal of Chemistry. 55, 9, p. 557 - 560 4 p.

Research output: Contribution to journalArticleResearchpeer-review

25 Citations (Scopus)

Endo selective Diels-Alder reactions of furan in ionic liquids

Hemeon, I., De Amicis, C., Jenkins, H., Scammells, P. & Singer, R. D., 2002, In : Synlett. 11, November, p. 1815 - 1818 4 p.

Research output: Contribution to journalArticleResearchpeer-review

36 Citations (Scopus)

Enhancing the immunogenicity and modulating the fine epitope recognition of antisera to a helical group A streptococcal peptide vaccine candidate from the M protein using lipid-core peptide technology

Hayman, W. A., Toth, I., Flinn, N., Scanlon, M. & Good, M. F., 2002, In : Immunology and Cell Biology. 80, 2, p. 178 - 187 10 p.

Research output: Contribution to journalArticleResearchpeer-review

98 Citations (Scopus)

Estimation of pKa using semiempirical molecular orbital methods. Part 1: application to phenols and carboxylic acids

Tehan, B. G., Lloyd, E. J., Wong, M. G., Pitt, W. R., Montana, J. G., Manallack, D. T. & Gancia, E., 2002, In : Quantitative Structure-Activity Relationships. 21, 5, p. 457 - 472 16 p.

Research output: Contribution to journalArticleResearchpeer-review

60 Citations (Scopus)

Estimation of pKa using semiempirical molecular orbital methods. Part 2: application to amines, anilines and various nitrogen containing heterocyclic compounds

Tehan, B. G., Lloyd, E. J., Wong, M. G., Pitt, W. R., Gancia, E. & Manallack, D. T., 2002, In : Quantitative Structure-Activity Relationships. 21, 5, p. 473 - 485 13 p.

Research output: Contribution to journalArticleResearchpeer-review

4 Citations (Scopus)

Mcg light chain dimer as a model system for ligand design: a docking study

Yuriev, E. & Ramsland, P. A., 2002, In : Journal of Molecular Recognition. 15, 5, p. 331 - 340 10 p.

Research output: Contribution to journalArticleResearchpeer-review

36 Citations (Scopus)

Metallocyclodextrin Catalysts for Hydrolysis of Phosphate Triesters

Barr, L. B., Easton, C. J., Lee, K., Lincoln, S. F. & Simpson, J. S., 2002, In : Tetrahedron Letters. 43, p. 7797 - 7800 4 p.

Research output: Contribution to journalArticleResearchpeer-review

14 Citations (Scopus)

Molecular mapping in the CNS

Wong, M. G., Tehan, B. G. & Lloyd, E. J., 2002, In : Current Pharmaceutical Design. 8, 17, p. 1547 - 1570 24 p.

Research output: Contribution to journalArticleResearchpeer-review

New 2, N6-Distributed Adenosines: Potent and Selective A1 Adenosine Receptor Agonists

Hutchinson, S. A. & Scammells, P. J., 2002, In : Bioorganic & Medicinal Chemistry. 10, p. 1115 - 1122 8 p.

Research output: Contribution to journalArticleResearchpeer-review

24 Citations (Scopus)

New 2,N6-disubstituted adenosines: Potent and selective A1adenosine receptor agonists

Hutchinson, S. A., Baker, S. P., Scammells, P. J. & Scammells, P. J., 21 Feb 2002, In : Bioorganic and Medicinal Chemistry. 10, 4, p. 1115-1122 8 p.

Research output: Contribution to journalArticleResearchpeer-review

5 Citations (Scopus)

New irreversible adenosine A1 antagonists based on FSCPX

Beauglehole, A. R., Baker, S. P. & Scammells, P. J., 2002, In : Bioorganic and Medicinal Chemistry Letters. 12, 21, p. 3179 - 3182 4 p.

Research output: Contribution to journalArticleResearchpeer-review

11 Citations (Scopus)

Recognition of IgG-derived Peptides by a Human IgM with an Unusual Combining Site

Yuriev, E., Ramsland, P. A. & Edmundson, A. B., 2002, In : Scandinavian Journal of Immunology. 55, 3, p. 242 - 253 12 p.

Research output: Contribution to journalArticleResearchpeer-review

64 Citations (Scopus)

Schizophrenia: genesis, receptorology and current therapeutics

Capuano, B., Crosby, I. T. & Lloyd, E. J., 2002, In : Current Medicinal Chemistry. 9, 5, p. 521 - 548 28 p.

Research output: Contribution to journalArticleResearchpeer-review

62 Citations (Scopus)

Selecting screening candidates for kinase and G Protein-coupled receptor targets using neural networks

Manallack, D. T., Pitt, W. R., Gancia, E., Montana, J. G., Livingstone, D. J., Ford, M. G. & Whitley, D. C., 2002, In : Journal of Chemical Information and Computer Sciences. 42, 5, p. 1256 - 1262 7 p.

Research output: Contribution to journalArticleResearchpeer-review

23 Citations (Scopus)

Synthesis and preliminary pharmacological evaluation of 4'-arylmethyl analogues of clozapine. I. The effect of aromatic substituents

Capuano, B., Crosby, I. T., Lloyd, E. J. & Taylor, D. A., 2002, In : Australian Journal of Chemistry. 55, 9, p. 565 - 576 12 p.

Research output: Contribution to journalArticleResearchpeer-review

The structure of Ap(4)A hydrolase complexed with ATP-MgFx reveals the basis of substrate binding

Fletcher, J. I., Swarbrick, J. D., Maksel, D. M., Gayler, K. R. & Gooley, P., 2002, In : Structure. 10, p. 205 - 213 9 p.

Research output: Contribution to journalArticleResearchpeer-review

Water-soluble organic compounds in biomass burning aerosols over Amazonia 1. Characterization by NMR abd GC-MS

Graham, B., Mayol-Bracero, O. L., Guyon, P., Roberts, G. C., Decesari, S., Facchini, M. C., Artaxo, P., Maenhaut, W., Koll, P. & Andreae, M. O., 2002, In : Journal of Geophysical Research. 107, D20, p. LB14.1 - LB14.16 16 p.

Research output: Contribution to journalArticleResearchpeer-review

Water-soluble organic compounds in biomass burning aerosols over Amazonia 2. Apportionment of the chemical composition and importance of the polyacidic fraction

Mayol-Bracero, O. L., Guyon, P., Graham, B. & Andreae, M. O., 2002, In : Journal of Geophysical Research. 107, D20, p. LBA59.1 - LBA59.15 15 p.

Research output: Contribution to journalArticleResearchpeer-review

2001

(1,3-Benzo[d]dioxol-5-yl) (2-pyridyl) methyl cyanide

Duthie, A., Scammells, P. J., Katsifis, A. & Tiekink, E. R. T., 2001, In : Acta Crystallographica Section E: Structure Reports Online. E 57, p. 104 - 105 2 p.

Research output: Contribution to journalArticleResearchpeer-review

6,7 Dimethyl-5-phenyl-1H-thieno [2,3-e]-[1,4]diazepin-2(3H)-one

Scammells, P. J., Tranberg, C. E. & Tiekink, E. R. T., 2001, In : Acta Crystallographica Section E: Structure Reports Online. E 57, p. 344 - 345 2 p.

Research output: Contribution to journalArticleResearchpeer-review

15 Citations (Scopus)

Advanced precursors in marine biosynthetic study. Part 2: The biosynthesis of isocyanides and isothiocyanates in the tropical marine sponge Axinyssa n.sp

Simpson, J. S. & Garson, M. J., 2001, In : Tetrahedron Letters. 42, 25, p. 4267 - 4269 3 p.

Research output: Contribution to journalArticleResearchpeer-review

28 Citations (Scopus)

Alternative Methods for the MnO2 oxidation of codeine methyl ether to thebaine utilizing ionic liquids

Singer, R. D. & Scammells, P. J., 2001, In : Tetrahedron Letters. 42, p. 6831 - 6833 3 p.

Research output: Contribution to journalArticleResearchpeer-review

90 Citations (Scopus)

Analysis of Inhibitor Binding in Influenza Virus Neuraminidase

Smith, B. J., Colman, P. M., Von Itzstein, M., Danylec, B. & Varghese, J. N., 2001, In : Protein Science. 10, p. 689 - 696 8 p.

Research output: Contribution to journalArticleResearchpeer-review

17 Citations (Scopus)

Arylsulphonyl hydroxamic acids: potent and selective matrix metalloproteinase inhibitors

Baxter, A. D., Bhogal, R., Bird, J., Keily, J. F., Manallack, D. T., Montana, J. G., Owen, D. A., Pitt, W. R., Watson, R. J. & Wills, R. E., 2001, In : Bioorganic and Medicinal Chemistry Letters. 11, 11, p. 1465 - 1468 4 p.

Research output: Contribution to journalArticleResearchpeer-review

12 Citations (Scopus)

Binding of Synthetic Peptides by a Human Monoclonal IgM with an Unusual Combining Site Structure

Edmundson, A. B., Tribbick, G., Plompen, S., Geysen, H. M., Yuriev, E. & Ramsland, P. A., 2001, In : Journal of Molecular Recognition. 14, 4, p. 229 - 238 10 p.

Research output: Contribution to journalArticleResearchpeer-review

1 Citation (Scopus)

Crystal Structure of (4-Bromonaphthalen-2-yl) acetonitrile

Duthie, A., Scammells, P. J., Katsifis, A. & Tiekink, E. R. T., 2001, In : Zeitschfrift fur Kristallographie. 216, 4, p. 531 - 532 2 p.

Research output: Contribution to journalArticleResearchpeer-review

Crystal structure of (4-bromonaphthalen-2-yl) acetonitrile, C12H8BrN

Duthie, A., Scammells, P. J., Tiekink, E. R. T. & Katsifis, A., 1 Apr 2001, In : Zeitschfrift fur Kristallographie. 216, 1-4, p. 565-568 4 p.

Research output: Contribution to journalArticleResearchpeer-review

20 Citations (Scopus)

Docking of Combinatorial Peptide Libraries into a Broadly Cross-reactive Human IgM

Yuriev, E., Ramsland, P. A. & Edmundson, A. B., 2001, In : Journal of Molecular Recognition. 14, 3, p. 172 - 184 13 p.

Research output: Contribution to journalArticleResearchpeer-review

56 Citations (Scopus)

Getting the Adrenaline Going:Crystal Structure of the Adrenaline-Synthesizing Enzyme PNMT

Martin, J. L., Begun, J., McLeish, M. J., Caine, J. & Grunewald, G. L., 2001, In : Structure. 9, p. 977 - 985 9 p.

Research output: Contribution to journalArticleResearchpeer-review

7 Citations (Scopus)

Immunoglobulin Cross-Reactivity Examined by Library Screening, Crystallography and Docking Studies

Ramsland, P. A., Yuriev, E. & Edmundson, A. B., 2001, In : Combinatorial Chemistry and High Throughput Screening. 4, 5, p. 397 - 408 12 p.

Research output: Contribution to journalArticleResearchpeer-review

Implementation of a web-based reagent selector for combinatorial libraries

Gancia, E., Manallack, D. T. & Green, R. H., 2001, In : Internet Journal of Chemistry. 1, 1, p. 2 - 10 9 p.

Research output: Contribution to journalArticleResearchpeer-review

24 Citations (Scopus)

Modelling studies of the active site of human sorbitol dehydrogenase: an approach to structure-based inhibitor design of the enzyme

Darmanin, C. & El-Kabbani, O., 2001, In : Bioorganic and Medicinal Chemistry Letters. 11, p. 3133 - 3136 4 p.

Research output: Contribution to journalArticleResearchpeer-review

11 Citations (Scopus)

Molecular field analysis of clozapine analogs in the development of a pharmacophore model of antipsychotic drug action

Tehan, B. G., Lloyd, E. J. & Wong, M. G., 2001, In : Journal of Molecular Graphics and Modelling. 19, p. 417 - 426 10 p.

Research output: Contribution to journalArticleResearchpeer-review

28 Citations (Scopus)

Photochemical N-Demethylation of alkaloids

Ripper, J. A., Tiekink, E. R. T. & Scammells, P. J., 2001, In : Bioorganic and Medicinal Chemistry Letters. 11, p. 443 - 445 3 p.

Research output: Contribution to journalArticleResearchpeer-review

14 Citations (Scopus)

Solution structure of BSTI: a new trypsin inhibitor from skin secretions of Bombina bombina

Rosengren, K. J., Daly, N. I., Scanlon, M. J. & Craik, D. J., 2001, In : Biochemistry. 40, 15, p. 4601 - 4609 9 p.

Research output: Contribution to journalArticleResearchpeer-review

15 Citations (Scopus)

Structural predictions of adenosine 2B antagonist affinity using molecular field analysis

Song, Y., Coupar, I. M. & Iskander, M. N., 2001, In : Quantitative Structure-Activity Relationships. 20, p. 23 - 30 8 p.

Research output: Contribution to journalArticleResearchpeer-review

13 Citations (Scopus)

Synthesis of C-3 nitrogen-containing derivatives of N-acetyl-,-D-mannosamine as substrates for N-acetylneuraminic acid aldolase

Kok, G. B., Campbell, M., Mackey, B. & Von Itzstein, M., 2001, In : Carbohydrate Research. 332, p. 133 - 139 7 p.

Research output: Contribution to journalArticleResearchpeer-review

11 Citations (Scopus)

Synthesis of novel sialylmimetics as biological probes

Bradley, S. J., Fazli, A., Kiefel, M. J. & Von Itzstein, M., 2001, In : Bioorganic and Medicinal Chemistry Letters. 11, p. 1587 - 1590 4 p.

Research output: Contribution to journalArticleResearchpeer-review

52 Citations (Scopus)

Theoretical hydrogen bonding parameters for drug design

Gancia, E., Montana, J. G. & Manallack, D. T., 2001, In : Journal of Molecular Graphics and Modelling. 19, 3-4, p. 349 - 362 14 p.

Research output: Contribution to journalArticleResearchpeer-review

The solution structure of C1T1, a two-domain proteinase inhibitor derived from a circular precursor protein from Nicotiana alata

Schirra, H. J., Scanlon, M. J., Lee, M. C. S., Anderson, M. A. & Craik, D. J., 2001, In : Journal of Molecular Biology. 306, p. 69 - 79 11 p.

Research output: Contribution to journalArticleResearchpeer-review

2000
11 Citations (Scopus)

A high-throughput assay for rat liver Golgi and Saccharomyces cerevisiae-expressed murine CMP-N-Acetylneuraminic acid transport proteins

Tiralongo, J., Abo, S., Danylec, B., Gerardy-Schahn, R. & Von Itzstein, M., 2000, In : Analytical Biochemistry. p. 21 - 32 12 p.

Research output: Contribution to journalArticleResearchpeer-review

24 Citations (Scopus)

Aldose and aldehyde reductases:correlation of molecular modeling and mass spectrometric studies on the binding of inhibitors to the active site

El-Kabbani, O., Rogniaux, H., Barth, P., Chung, R. P-T., Fletcher, E. V., Van Dorsselaer, A. & Podjarny, A., 2000, In : Proteins: Structure, Function, and Bioinformatics. p. 407 - 414 8 p.

Research output: Contribution to journalArticleResearchpeer-review

12 Citations (Scopus)

A one-pot synthesis of novel N,N-dialkyl-S-glycosylsulfenamides

Owen, D. J. & Von Itzstein, M., 2000, In : Carbohydrate Research. p. 287 - 292 6 p.

Research output: Contribution to journalArticleResearchpeer-review

British Journal of Pharmacology

Baker, S. P., Scammells, P. J. & Belardinelli, L., 2000, In : British Journal of Pharmacology. 130, 5, p. 1156 - 1164 9 p.

Research output: Contribution to journalArticleResearchpeer-review

Crystallization and preliminary x-ray analysis of porcine aldehyde reductase in complex with coenzyme and quercetin

El-Kabbani, O. & Chung, R. P-T., 2000, In : Protein and Peptide Letters. p. 201 - 206 6 p.

Research output: Contribution to journalArticleResearchpeer-review

25 Citations (Scopus)

Differential A1-adenosine receptor reserve for inhibition of cyclic AMB accumulation and G-protein activation in DDT1MF-2 cells

Baker, S. P., Scammells, P. J., Belardinelli, L. & Belardinelli, L., 1 Jan 2000, In : British Journal of Pharmacology. 130, 5, p. 1156-1164 9 p.

Research output: Contribution to journalArticleResearchpeer-review

20 Citations (Scopus)

Expression, characterization and structure determination of an active site mutant (Glu202-Gln) of mini-stromelysin-1

Steele, D. L., El-Kabbani, O., Dunten, P., Windsor, L. J. J., Kammlott, R. U. U., Crowther, R. L., Michoud, C., Engler, J. A. & Birktoft, J. J., 2000, In : Protein Engineering. p. 397 - 405 9 p.

Research output: Contribution to journalArticleResearchpeer-review

17 Citations (Scopus)

Identification of initiation sites for T4 lysozyme folding using CD and NMR spectroscopy of peptide fragments

Najbar, L. N., Craik, D. J., Wade, J. D. & McLeish, M. J., 2000, In : Biochemistry. p. 5911 - 5920 10 p.

Research output: Contribution to journalArticleResearchpeer-review

25 Citations (Scopus)

Modelling studies on the binding of substrate and inhibitor to the active site of human sorbitol dehydrogenase

Darmanin, C. & El-Kabbani, O., 2000, In : Bioorganic and Medicinal Chemistry Letters. p. 1101 - 1104 4 p.

Research output: Contribution to journalArticleResearchpeer-review