Australian Journal of Chemistry Australian Journal of Chemistry Society
An international journal for chemical science
Table of Contents
Australian Journal of Chemistry

Australian Journal of Chemistry

Volume 67 Number 12 2014

RESEARCH FRONT: International Year of Crystallography 2014

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Ruthenium anticancer drugs, such as NAMI-A and KP1019, show promise in the clinic despite limited understanding of how they work. We have developed a synthetic strategy to tag the imidazole of NAMI-A with fluorescent or other functionalities, which may lead to an improved understanding of the modes of action of this class of drug.

CH14333Membrane Protein Structures for Rational Antimicrobial Drug Design

Patricia M. Walden, Roisin M. McMahon and Julia K. Archbold
pp. 1724-1731
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Antibiotic resistance is a major global health threat. Bacteria have developed novel resistance mechanisms to many of the latest generations of antibiotics and there is an urgent need to develop new therapies to combat these infections. Here we review recent breakthroughs in bacterial membrane protein structural determination and their potential for the future rational design of novel antimicrobial therapies.

CH14304The Relevance of Structural Biology in Studying Molecules Involved in Parasite–Host Interactions: Potential for Designing New Interventions

Lyndel Mason, Parisa Amani, Megan Cross, Joshua Baker, Ulla-Maja Bailey, Malcolm K. Jones, Robin B. Gasser and Andreas Hofmann
pp. 1732-1740
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Individual members of pathogen protein families with conserved three-dimensional topologies often show high levels of specialisation, which is achieved through grafting particular structural features onto the shared overall fold. Such instances exemplify the need for experimental three-dimensional structures provided by protein crystallography, which remain an essential component of this area of research.

CH14319RNA and RNA–Protein Complex Crystallography and its Challenges

Janine K. Flores, James L. Walshe and Sandro F. Ataide
pp. 1741-1750
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Novel biological functions for RNAs have led to a growing interest in RNA–protein interactions and their importance in cell regulation. However, obtaining large amounts of RNA for X-ray crystallographic studies has proved to be an ongoing challenge. Current advances in this field along with established techniques are explored in this review.

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The application of neutron crystallography to protein crystals has provided unique insight into protein structure and function such as in the study of low-barrier hydrogen bonds and protein–ligand interactions. In this review, we give an overview of neutron protein crystallography and highlight some of the recent advances in knowledge.

CH14362Inhibitors of Galectins and Implications for Structure-Based Design of Galectin-Specific Therapeutics

Helen Blanchard, Khuchtumur Bum-Erdene and Matthew W. Hugo
pp. 1763-1779
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Galectins have significant roles in many diseases including cancer and consequently are important targets for drug development. Design of inhibitors that are effective in vivo and also those that can specifically target particular galectins remains a major challenge. This review highlights the current status of play in tackling the design of effective and selective galectin-therapeutics.

CH14397Discovery of Phosphodiesterase-4 Inhibitors: Serendipity and Rational Drug Design

Susanne C. Feil, Jessica K. Holien, Craig J. Morton, Nancy C. Hancock, Philip E. Thompson and Michael W. Parker
pp. 1780-1785
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Thiophene-based inhibitors are promising drugs to inhibit the catalytic activity of phosphodiesterase 4 (PDE4). Such drugs could find uses in the treatment of certain inflammatory and neurological diseases. Crystallography has played a key role in the development of PDE4 inhibitors.

CH14396Small-Angle X-Ray Scattering for the Discerning Macromolecular Crystallographer

Lachlan W. Casey, Alan E. Mark and Bostjan Kobe
pp. 1786-1792
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The averaged nature of small-angle X-ray scattering (SAXS) data presents a significant risk of over-interpretation to the unwary practitioner. In this review, a series of recent examples are used to illustrate both the challenges for interpretation and a number of approaches through which these can be overcome.

CH14455Reflections on the Many Facets of Protein Microcrystallography

Marion Boudes, Damià Garriga and Fasséli Coulibaly
pp. 1793-1806
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Since the development of the first dedicated microfocus beamline in the mid-90s, protein microcrystallography has been implemented at >10 synchrotrons worldwide, becoming the norm whenever available. This review aims to describe the many facets of microcrystallography with a focus on specific challenges and opportunities in the field.

CH14229Nanoscale Order in Molecular Systems from Single Crystal Diffuse Scattering

Darren J. Goossens and T. Richard Welberry
pp. 1807-1812
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In crystallography, diffuse scattering contains a wealth of information about the local order in crystalline materials. At one extreme a very simplified model may demonstrate particular qualitative effects, while at the other a quantitative and very detailed description of disordered structures can be obtained. Examples discussed include the local anaesthetic, benzocaine, and new results concerning p-chloro-N-(p-chloro- benzylidene)aniline.

CH14355Hydrogen Bonding of O-Ethylxanthate Compounds and Neutron Structural Determination of C–H···S Interactions

Lauren K. Macreadie, Alison J. Edwards, Anthony S. R. Chesman and David R. Turner
pp. 1829-1839
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A range of ethylxanthate salts have been structurally characterised. The number of NH donor atoms affects greatly the dimensionality of the hydrogen-bonding networks. Laue neutron diffraction data are used to rationalise C–H···S hydrogen bonds.

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An IR method is provided that distinguishes between supramolecular synthons that have nitro•••iodo recognition, but differ in topological and geometrical attributes. The method is also able to identify systems that contain nitro and iodo functional groups, but lack a nitro•••iodo synthon.

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Investigation of silver(i) nitrate complexes containing a halo-substituted phenyl nucleus bearing ethynyl substituents at variable positions provided detailed information on their coordination preferences, and the co-existence of silver(i)–ethynide and silver(i)–halogen interactions in the assembly of coordination networks, which are consolidated by argentophilic and weak intra- or inter-molecular interactions.

CH14410Adventitiously Obtained Rare-Earth Peroxide Complexes and Their Structural Characterisation

Glen B. Deacon, Craig M. Forsyth, Dominique Freckmann, Peter C. Junk, Kristina Konstas, Jenny Luu, Gerd Meyer and Daniel Werner
pp. 1860-1865
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The structures of three adventitiously obtained peroxolanthanoid complexes have been determined, namely, [Yb2(Cp)4(μ-O)2/3(μ-O2)1/3(thf)2], [Nd2(o-PhPhForm)4(thf)4(μ-O2)] (o-PhPhForm = N,N′-bis(2-phenylphenylformamidinate), and [Eu4(FForm)6(μ-OH)23-O2)2(μ-diglyme)2]·2diglyme.

CH14414Coordination Polymers Constructed from TCNQ2– Anions and Chelating Ligands

Brendan F. Abrahams, Robert W. Elliott and Richard Robson
pp. 1871-1877
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Five new coordination polymers have been synthesised in which divalent metal centres are linked by the redox-active dianion of TCNQ. The inclusion of a terminal chelating ligand results in corrugated two-dimensional networks when CdII and MnII are used, whereas an unusual three-dimensional network is formed in the case of CoII.

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