Drug Design 2012

See you at Drug Design 2014
23-25 September 2014, Oxford, UK

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• Drug Design 2012
• Speakers
• Posters
• Sponsor and Exhibitor
• Photos

• Drug Design 2012 Summary

  Structure-based Drug Design
  

  26-28 September 2012, St Hilda's College, Oxford, UK

  Drug Design 2012 addressed the latest developments in computational and experimental approaches to fragment- and ligand-based drug design. The conference was aimed at bringing together biologists, chemists and computational scientists from academia and industry to discuss the latest developments and breakthroughs in cutting-edge in silico and experimental drug design approaches.

  Distinguished Keynote Speakers:

  • Professor Mark Sansom
  • Professor Chris Reynolds
  • Professor Klaus Mueller

• Distinguished Faculty

  Dr Tom Davies
  Associate Director of Structural Biology, Astex Pharmaceuticals, UK
  Title: The use of fragment-based drug discovery to exploit alternative binding sites on proteins

  Professor Mark Sansom - Keynote Address
  Head of Biochemistry Department, University of Oxford, UK

  Dr Paul Finn
  Chief Scientific Officer, Inhibox Ltd, UK
  Title: Rapid and effective ligand-based virtual screening: Different tools for different jobs?

  Dr Richard Law
  Group Leader, Computational Chemistry, Evotec, UK
  Title: Computational methods for fragment-based drug design

  Dr Phil Biggin
  Lecturer and Co-Director - Structural Bioinformatics and Computational Biochemistry Unit, University of Oxford, UK
  Title: Insights into the mechanism of P-Glycoprotein from Molecular Dynamics Simulations

  Professor Isabel Bermudez-Diaz
  Professor of Neuropharmacology, Oxford Brookes University, UK
  Title: Non-orthosteric subunit interfaces and their role in alpha4beta2 nicotinic acetylcholine receptor properties

  Professor Klaus Müller - Keynote Address
  Consultant, F Hoffmann-La Roche AG, Switzerland
  Title: Polar lipocompatible units for property modulation in drug discovery

  Professor Barry Potter
  Professor of Medicinal Chemistry, University of Bath, UK
  Title: Approaches to drugging nucleotide Ca2+ - mobilizing second messengers

  10.30am: Refreshments, Networking and Posters

  Dr Steven Thompson and Dr Manita Feenstra
  Sigma Life Sciences, UK
  Title: Bioactive Small Molecule Libraries in Screening and Generation of Downstream Platforms using Zinc Finger Nuclease Technology

  Dr Ijen Chen
  Principal Scientist, Vernalis, UK
  Title: Experiences in tackling protein-protein interaction targets for novel anti-cancer treatments

  Professor Dr Dennis Servent
  Institute of Biology and Technologies (iBiTEC-S), France
  Title: Pharmacological, structural characterization and engineering of toxins interacting with GPCRs

  Professor Christopher Reylonds - Keynote Address
  Professor in Computational Chemistry, University of Essex, UK
  Title: Computational approaches to GPCR structure

  Professor Dr M Natalia DS Cordeiro
  University of Porto, Portugal
  Title: In silico multi-criteria virtual screening towards prioritising antibacterial peptidomimetics

  Professor Robin Leatherbarrow
  Imperial College London, UK
  Title: Inhibitors of N-myristoyl transferases from Leishmania and Plasmodium as anti-parasite agents

  Professor Ian Gilbert
  University of Dundee, UK
  Title: Drug discovery for neglected tropical diseases

  Dr Pedro Ballester
  Senior Researcher, EMBL-EBI, Wellcome Trust Genome Campus, Cambridge, UK
  Title: Hierarchical virtual screening for the discovery of new molecular scaffolds in antibacterial hit lead identification

  Dr Giani De Fabritiis
  Acellera Ltd, Spain
  Title: Fragment-based drug design using molecular dynamics

  Dr Luca Mannocci
  Head of DNA-encoded Chemical Library and Drug Discovery Technologies, Philochem AG, Switzerland
  Title: DNA-encoded chemical libraries

  Dr Michael Bodkin
  Research Advisor & CDD Group Leader, Medicinal Chemistry, Lilly, UK
  Title: Targeting the Amyloid and Tau hypotheses by molecular design

  Dr Zara Sands
  Senior Scientists, UCB Pharma SA, Belgium
  Title: Does molecular modeling have a place for driving drug design within a pharmaceutical setting?

  Dr Paul Bamborough
  Principal Scientist, Galaxo-Smith-Kline, UK
  Title: Playing the system: focused fragments for kinases and bromodomains

  Professor Dr Rob Leurs
  Amsterdam Institute of Molecules, Medicines and Systems, VU University Amsterdam, The Netherlands
  Title: Fragment-based approaches towards GPCRs ligands

  Dr Pratul Agarwal
  CEO, Annavitas Biosciences, Knoxville, TN, and Computational Biology Institute, Oak Ridge National Laboratory, TN, USA
  Title: Discovering and characterizing allosteric sites for novel drug design

• Posters Presented at Drug Design 2012

  (Presenters in Bold)

  From Gene to Hit: Identification of Aldehyde Dehydrogenase 1A1 modulators Using Virtual Screening

  Cédric Chauvignac, Diego Pallares, Vinayaka Kotraiah, Deanna Toema, Dehe Kong, Eric Beausoleil

  Exonhit, 63 Bld Masséna, 75013 Paris, France

  Structure-based inhibitor design for Trypanosoma brucei aldolase

  Leonardo Luiz Gomes Ferreira and Adriano Defini Andricopulo

  Laboratório de Química Medicinal e Computacional, Universidade de São Paulo, São Carlos-SP, Brazil

  Identification of Blocker Binding Site and Critical Chemical Features for TREK-2 Potassium Channel by Molecular Docking Simulation and Structure- Based Pharmacophore Modeling

  Songmi Kim, Yuno Lee, and Keun Woo Lee

  Gyeongsang National University, South Korea

  Oral Polo-Like Kinase (PLK) inhibitors with enhanced selectivity obtained using residue targeted design

  Ronald Knegtel, Jean-Damien Charrier, Kieron Brown, Steven Durrant, Matthew Griffiths, Catherine Hudson, Dave Kay, Michael O’Donnell, Fran çoi se Pierard, Heather Twin, Peter Weber and Stephen Young

  Vertex Pharmaceuticals (Europe) Ltd, Milton Park, OXON, UK

  Identification of Blocker Binding Site in Mouse TRESK Potassium Channel by Molecular Modeling Study

  Songmi Kim, Yuno Lee, and Keun Woo Lee

  Gyeongsang National University, South Korea

  Combined approach of Molecular Docking and Molecular Dynamics Simulations for Stilbene Derivatives as a Novel and Competitive Class of α-Glucosidase Inhibitors

  Yuno Lee, Songmi Kim, and Keun Woo Lee

  Gyeongsang National University, South Korea

  Small molecule library screening for the selection of novel Staphylococcus aureus sortase A inhibitors

  Dmitrijs Žuļenkovs and Ainārs Leončiks

  Biomedical Research and Study Centre, Ratsupites 1, Riga, LV1067, Latvia

• Sigma Life Science, UK

• TBA