Mark Gray
University of Sunderland
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Publication
Featured researches published by Mark Gray.
Organic Letters | 2012
Suresh K. Kottakota; Mathew Benton; Dimitrios Evangelopoulos; Juan D. Guzman; Sanjib Bhakta; Timothy D. McHugh; Mark Gray; Paul W. Groundwater; Emma C. L. Marrs; John D. Perry; J. Jonathan Harburn
The first total synthesis of the marine natural products Psammaplin C and Tokaradine A is described. Benzylidene rhodanines were utilized as versatile intermediates toward the synthesis of seven brominated marine sponge metabolites through the optimization of protection group strategies. Spermatinamine demonstrated good inhibition of all cancer cell lines tested, in particular the leukemia K562 and colon cancer HT29 cell lines.
Organic and Biomolecular Chemistry | 2012
Linda Váradi; Mark Gray; Paul W. Groundwater; Andrew J. Hall; Arthur James; Sylvain Orenga; John D. Perry; Rosaleen Anderson
Several novel fluorogenic N-aminoacylnaphthyridine substrates were synthesized in good yield and tested for their ability to detect pathogenic bacteria in agar-based cell culture. Simple 2-N-(β-alanyl)amino-5,7-dialkylnaphthyridine substrates were selectively hydrolysed by β-alanylaminopeptidase expressing bacteria, but were subject to diffusion in the agar medium. Diffusion was reduced in the 2-N-(β-alanyl)amino-7-alkylnaphthyridine substrates with longer alkyl chains, but inhibition of growth was increased. 2-N-(β-Alanyl)amino-7-octylnaphthyridine inhibited the growth of all species tested, except for strains resistant to colistin/polymyxin, providing a rationale for the development of substrates for the selective detection of drug resistant species in clinical samples.
Journal of Natural Products | 2012
Suresh K. Kottakota; Dimitrios Evangelopoulos; Amani Alnimr; Sanjib Bhakta; Timothy D. McHugh; Mark Gray; Paul W. Groundwater; Emma C. L. Marrs; John D. Perry; Christopher D. Spilling; J. Jonathan Harburn
Five purpurealidin-derived marine secondary sponge metabolies have been synthesized through the carbodiimide coupling of an appropriate bromotyrosine unit. The structure elucidations have been confirmed through direct comparison with spectroscopic data of isolated natural products. Aplyzanzine A has been shown to be the most active product against a broad bacterial and fungal screen, demonstrating MIC values 2 to 4 times lower than the other metabolites in this study. Compounds 2, 3, 4a, and 5-7 exhibit a modest inhibition against slow growing mycobacteria (MIC 25-50 μg/mL), including Mycobacterium tuberculosis. iso-Anomoian A and suberedamine B showed antitumor activity in the NCI-DTP60 cell line screen at single-digit micromolar concentrations, with iso-anomoian A inhibiting 53 cell lines. These molecules present novel scaffolds for further optimization.
ieee international conference on high performance computing data and analytics | 2012
John Tindle; Mark Gray; Robert Warrender; Kevin Ginty; Peter Dawson
This paper describes the performance of a compute cluster applied to solve three dimensional 3D molecular modelling problems. The primary goal of this work is to identify new potential drugs. The paper examines the following issues: computational chemistry, computational efficiency, task scheduling, and the analysis of system performance. The philosophy of design for an application framework for computational chemistry AFCC is described. Various experiments have been carried out to optimise the performance of a cluster computer, the results analysed and the statistics produced are discussed in the paper.
Encyclopedia of supramolecular chemistry. London: Taylor & Francis, pp. 1-9 | 2011
Mark Gray; J. Jonathan Harburn
In recent years Dynamic Covalent Chemistry (DCC) has transformed from being an academic curiosity to become an invaluable tool in the creation of functional systems. This contribution examines the role DCC has played over the past decade in Drug Discovery and, in particular, explores the synergy that has become apparent with Fragment Based Lead Discovery.
Journal of the American Chemical Society | 2006
Lei Zhu; Shagufta H. Shabbir; Mark Gray; Vincent M. Lynch; Steven Sorey; Eric V. Anslyn
Journal of the American Chemical Society | 2000
Faysal Ilhan; Trent H. Galow; Mark Gray; and Gilles Clavier; Vincent M. Rotello
Journal of the American Chemical Society | 2003
Raymond J. Thibault; Peter J. Hotchkiss; Mark Gray; Vincent M. Rotello
Macromolecules | 2001
Faysal Ilhan; Mark Gray; Vincent M. Rotello
Journal of the American Chemical Society | 2003
Yves Marie Legrand; Mark Gray; Graeme Cooke; Vincent M. Rotello