Publications and Presentations

This page includes

• Scientific Papers published as a result of this project
• Conference Presentations about the project
• Project Materials and General Interest

Scientific Papers

• Quantifying the chemical beauty of drugs by G. Richard Bickerton, Gaia V. Paolini, Jérémy Besnard, Sorel Muresan and Andrew L. Hopkins published in Nature Chemistry, Volume 4, February 2012, pages 90-98 (open access)
• The structure of Serratia marcescens Lip, a membrane-bound component of the type VI secretion system by V. A. Rao, S. M. Shepherd, G. English, S. J. Coulthurst and W. N. Hunter published in Acta Crystallographica Section D, 2011, Volume 67, part 12, pages 1065-1072 (open access)
• DrugPred: A Structure-Based Approach To Predict Protein Druggability Developed Using an Extensive Nonredundant Data Set by Agata Krasowski, Daniel Muthas, Aurijit Sarkar, Stefan Schmitt, and Ruth Brenk published in the Journal of Chemical Information and Modeling, 2011, Volume 51 (Issue 11), pages 2829–2842
• Structure of PA4019, a putative aromatic acid decarboxylase from Pseudomonas aeruginosa by J. Kopec, R. Schnell and G. Schneider published in Acta Crystallographica Section F, Volume 67, Part 10 (October 2011), pages 1184-1188
• Pseudomonas aeruginosa 4-Amino-4-Deoxychorismate Lyase: Spatial Conservation of an Active Site Tyrosine and Classification of Two Types of Enzyme by Patrick F. O’Rourke, Thomas C. Eadsforth, Paul K. Fyfe, Sharon M. Shepherd, William N. Hunter published in PLoS ONE 6(9): e24158 (open access)
• Crystal structures of Burkholderia cenocepacia dihydropteroate synthase in the apo-form and complexed with the product 7,8-dihydropteroate by Rachel E Morgan, Gaelle O Batot, Jennifer M Dement, Vincenzo A Rao, Thomas C Eadsforth, William N Hunter published in BMC Structural Biology 2011, 11:21 (open access)
• Rapid Analysis of Pharmacology for Infectious Diseases by Andrew L. Hopkins, G. Richard Bickerton, Ian M. Carruthers, Stephen K. Boyer, Harvey Rubin and John P. Overington published in Current Topics in Medicinal Chemistry, Volume 11, Number 10, May 2011 , pages 1292-1300 (open access)
• Crystal Structures of Penicillin-Binding Protein 3 from Pseudomonas aeruginosa: Comparison of Native and Antibiotic-Bound Forms by Sarah Sainsbury, Louise Bird, Vincenzo Rao, Sharon M. Shepherd, David I. Stuart, William N. Hunter, Raymond J. Owens and Jingshan Ren published in Journal of Molecular Biology, Volume 405, Issue 1, Pages 173-184
• Activiation of a front line TB drug by Prof William Hunter published in Diamond Light Source Annual Report 2010 (p113-114)
• Nucleophilic catalysis of acylhydrazone equilibration for protein-directed dynamic covalent chemistry by Venugopal T. Bhat, Anne M. Caniard, Torsten Luksch, Ruth Brenk, Dominic J. Campopiano and Michael F. Greaney published in Nature Chemistry, June 2010, Volume 2 No. 6 (pp490-497)
• The Scottish Structural Proteomics Facility: targets, methods and outputs by Muse Oke, Lester G. Carter, Kenneth A. Johnson, Huanting Liu, Stephen A. McMahon, Xuan Yan, Melina Kerou, Nadine D. Weikart, Nadia Kadi, Md. Arif Sheikh, Stefan Schmelz, Mark Dorward, Michal Zawadzki, Christopher Cozens, Helen Falconer, Helen Powers, Ian M. Overton, C. A. Johannes van Nieker, Xu Peng, Prakash Patel, Roger A. Garrett, David Prangishvili Catherine H. Botting, Peter J. Coote, David T. F. Dryden, Geoffrey J. Barton, Ulrich Schwarz-Linek, Gregory L. Challis, Garry L. Taylor, Malcolm F. White and James H. Naismith published in Journal of Structural and Functional Genomics, Volume 11, Number 2 / June, 2010, pages 167-180 (open access)
• Specificity and Mechanism of Acinetobacter baumanii Nicotinamidase: Implications for Activation of the Front-Line Tuberculosis Drug Pyrazinamide by Dr. Paul K. Fyfe, Vincenzo A. Rao, Aleksandra Zemla, Dr. Scott Cameron, Prof. William N. Hunter published in Angewandte Chemie International Edition, Volume 48, Issue 48, Pages 9176 - 9179

Conference Presentations

• Structural and Functional investigations of two enzyme drug targets from Pseudomonas
  aeruginosa: Part of the AEROPATH project, poster by Jason Schmidberger and Gunter Schneider, presented at the 15th Annual SBNet meeting, Tällberg, Sweden, (June 17-20th 2011)
• To Hit or Not To Hit - That Is The Question! Structure-Based Druggability Predictions for Pseudomonas aeruginosa Targets, poster by Aurijit Sarkar, Agata Krasowski and Ruth Brenk, presented at the 9th International Conference on Chemical Structures, Noordwijkerhout, The Netherlands, (June 5-9th 2011)
• Identification, characterization and exploitation of novel Gram negative drug targets, poster by Vincent Rao, Richard Bickerton, Andrew Hopkins, William Hunter and the AEROPATH Consortium, presented at the Antibiotics 2011 – Where Now? meeting in London (20th January 2011)
• The Aeropath Consortium – application of modern technologies to hit discovery for Gram-negative pathogens, by Bill Hunter, presented at the Antibiotics 2011 – Where Now? meeting in London (20th January 2011)
• Initiating the structural analysis of a putative aminodeoxychorismate lyase from Pseudomonas aeruginosa, poster by Patrick E.F. O’Rourke, Thomas C. Eadsforth, Paul K. Fyfe, Sharon M. Shepherd and William N. Hunter, presented at 13th International Conference on the Crystallization of Biological Macromolecules, Dublin, Ireland (12–16th September 2010)
• AEROPATH - Identification, characterisation and exploitation of novel Gram-negative drug targets, by Gunter Schneider, presented at the 1st P-Cube User Meeting, Grenoble (9th September 2010)
• AEROPATH - Identification, characterisation and exploitation of novel Gram-negative drug targets, by Gunter Schneider, presented at ECM26, Darmstadt, Germany (29th August - 2nd September 2010)
• The AEROPATH project: Identification, characterisation and exploitation of novel Gram-negative drug targets, by Robert Schnell, Tatyana Sandalova, Jolanta Kopec, Jason Schmidberger and Gunter Schneider, presented at the 14th Annual SBNet meeting, Tällberg, Sweden, (June 11-14th 2010)
• A structure-based model for the prediction of protein druggability, poster by Daniel Muthas, Agata Krasowski and Ruth Brenk, presented at “New Approaches in Drug Design and Discovery” International Workshop, Marburg, Germany (March 22nd-25th 2010)
• What is a Drug Target? Development of a Molecular Interaction Ontology, by R. Bickerton, presented at Bio-IT World, Hannover (October 6-8th 2009). Part 1 (Chemogenomics), Part 2 (What is an Ontology?), Part 3 (Aeropath project)
• New research to target gram negative bacteria, poster by M. Maringer, C. Huck, W. Oehlmann, M. Singh and B. Lecher, presented at 47th annual meeting of the society for laboratory animal science GV-SOLAS, Vienna (September 13-15th 2009)
• Aeropath: An EU Consortium for Characterization and Exploitation of Novel Gram-Negative Drug Targets presented by Bill Hunter at ELRIG Drug Discovery 2009 (September 7-8th 2009)
• An Overview of AEROPATH presented by Bill Hunter at “The Challenge of Antibacterial Drug Development” Conference in San Diego, California (March 18-19th 2009)

Project Materials and General Interest

• New Project Poster published November 2010 … click here to download.
• Drug Discovery in Dundee: A Q&A with Andrew Hopkins (WP3 Leader) published in Bio-IT World, January - February 2010 Edition
• Structure-based Ligand Design and the Promise Held for Antiprotozoan Drug Discovery by Bill Hunter (Project Coordinator) published in the Journal of Biological Chemistry, May 1, 2009