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From Hit to Lead Optimising Drug Development
14 October - 15 October 2002
From Hit to Lead Optimising Drug Development

A unique opportunity to learn from leading industry experts including:

  • · Dr Claude Luttman, Head, Chemoinformatics, Aventis
  • · Dr Peter Hamley, Team Leader, AstraZeneca
  • · Dr Alan Wilson, Senior Director, Pharmacia
  • · Dr Werner Klaus, Senior Scientist, F.Hoffman-La Roche
  • · Dr Corinne Savill, Head, Drug Discovery Centre, Novartis
  • · Dr Dennis Church, Senior Scientist, Discovery Technologies, Serono
  • · Philip Tagari, Associate Director, Amgen

    5 KEY BENEFITS OF ATTENDING:

    1 Learn from leading experts in the area

    2 Gain insight into the use of virtual screening

    3 Meet the key figures from the major pharmaceutical companies

    4 Identify current issues surrounding the hit-to-lead process

    5 Raise your awareness of the technologies available for improving the hit-to-lead process

  • Conference agenda

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    8:30

    Registration and Coffee

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    9:00

    The importance of an integrated informatics system

  • Support discovery from concept through synthesis, analysis and testing
  • Essential for strategic and tactical decision-making at all stages
  • Capture data to create mine-able “enterprise memory”
  • Manage operational aspects
  • Allows scientists to focus on creative endeavours rather than day-to-day data management
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    10:00

    Library design and Creation

  • Initial concepts based on novel and medicinally relevant compounds
  • Scoring to select target library
  • Creation of vast virtual libraries
  • Selecting compounds for synthesis
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    11:00

    Morning Coffee

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    11:15

    Selecting compounds for screening and assessing the results

  • Virtual screening and / or property filters
  • Evaluating HTS results
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    12:00

    Strategies for efficient hit follow up

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    12:45

    Discussion and questions – review of the session

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    13:00

    Close of Briefing

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    8:30

    Registration and Coffee

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    9:00

    Chairman's Opening Remarks

    Dr Alan Wilson

    Dr Alan Wilson, Senior Director, Pharmacia

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    9:10

    DRUG DISCOVERY

    Dr Trevor Howe

    Dr Trevor Howe, Scientific Expert, Computational Chemistry, Novartis

  • Assay format
  • Target type
  • Compound Collections
  • Use of non-linear methods in handling large volumes of sparse and highly variable data
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    9:40

    DRUG DISCOVERY

    Dr David Williams

    Dr David Williams, Associate Director, Structural Sciences, Millennium Pharmaceuticals

  • Target identification and validation
  • Optimisation of chemical inhibitor matter
  • Exploring a number of protein targets
  • Disciplines in the process
  • Influence of structural biology
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    10:20

    DE NOVO DESIGN

    Bill Harris

    Bill Harris, Head, Chemistry, De Novo Pharmaceuticals

  • Lead generation options
  • Structure-based ligand design
  • Ligand-based design
  • Reduction to practice
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    11:00

    Morning Coffee

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    11:20

    LIBRARY DEVELOPMENT

    Dr Peter Hamley

    Dr Peter Hamley, Team Leader, AstraZeneca

  • Keeping pace with HTS
  • The need for quality leads
  • Evolving strategies for library design
  • Linking theory and practice
  • Automating quality library production
  • High throughput chemistry in practice
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    12:00

    CELLULAR PHENOTYPING IN LEAD SELECTION

    Philip Tagari

    Philip Tagari, Associate Director, Amgen

  • Determination of desired cellular phenotype by antisense / RNAi
  • Transcriptome analysis and quantitation in the presence of screening hits
  • Multiparameter protein expression and cellular phenotyping
  • Applications in angiogenesis, inflammation and hematopoesis
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    12:40

    Lunch

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    14:00

    PATHWAY MAPPING AND FUNCTIONAL PROTEOMICS

    Dr Michelle Palmer

    Dr Michelle Palmer, Director, Research & Development, Applied Biosystems

  • Understanding biological networks
  • Methods to reduce time from target discovery to drug development
  • Novel approaches to monitoring protein pathways in mammalian cells
  • Interaction analysis and protein knockdown
  • Applications: G-protein coupled receptor tyrosine kinases
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    14:40

    THE DEVELOPMENT OF PROTEASES AS TARGETS FOR DRUG DISCOVERY

    Dr Eddy Littler

    Dr Eddy Littler, Director, Biology & Molecular Sciences & Lead Discovery Manager, Medivir

  • Opportunities for protease inhibitors and track record of drug discovery
  • Bioinformatics of proteases
  • Validation of protease in disease models
  • The use of platform technologies (RAPiD) in the drug discovery process
  • The use of multidisciplinary approach to discovering leads against proteases
  • Overcoming the hurdles of turning lead inhibitors against proteases to drug candidates

    The presentation will describe examples in anti bacterial, anti viral and inflammation areas

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    15:20

    Afternoon Tea

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    15:40

    NMR SCREENING

    Dr Werner Klaus

    Dr Werner Klaus, Senior Scientist, F.Hoffman-La Roche

  • A new focus of NMR in the pharmaceutical industry
  • Hit finding: screening of target-biased libraries
  • Hit validation: eliminating ‘false-positives’
  • Automation of NMR: handling of large number of data sets
  • Case study: pertinent NMR methods within Roche laboratory
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    16:20

    STRUCTURAL SCREENING

    Dr Miles Congreve

    Dr Miles Congreve, Associate Chemistry Director & Head, Lead Discovery Chemistry, Astex

  • The approach of screening and detecting very small molecules with low-affinity binding interactions by using X-ray crystallography and their use as start-points for lead generation
  • Advantages of this approach over conventional bioassay-based high throughput screening
  • The results from structural screening of libraries of 'molecular fragments'against several therapeutic targets
  • The development of potent lead compounds starting from 'fragment' hits by rapid structure-based optimizion using the three-dimensional structure of the ligands bound to the target proteins
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    17:00

    Chairman's Closing Remarks and Close of Day One

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    8:30

    Re-registration and Coffee

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    9:00

    Chairman's Opening Remarks

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    9:10

    ROLE OF PREDICTIVE ADME AND TOXICITY MODELLING IN DRUG DISCOVERY

    Dr Alan Wilson

    Dr Alan Wilson, Senior Director, Pharmacia

  • Current status of in silico models for ADME and toxicity prediction
  • Strategies for the development and implementation of in silico models
  • Integrating predictive modelling into high throughput screening strategies
  • Future opportunities and challenges of in silico modelling
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    9:40

    ADMET

    Dr David Leahy

    Dr David Leahy, Founder & Chief Scientific Officer, Cyprotex

  • Industrialising in vitro HTADMET testing
  • Knowledge Management for in silico ADMET
  • Integrating Data through the ADMET knowledge bases and the ‘in silico mammal’
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    10:20

    VIRTUAL SCREENING

    Dr Claude Luttmann

    Dr Claude Luttmann, Head, Chemoinformatics, Aventis

  • The use of bioinformatics & chemoinformatics
  • The need for computer-based screening
  • Turning raw data into valuable chemical information
  • Large scale virtual screening as a route to identifying novel drug leads
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    11:00

    Morning Coffee

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    11:20

    VIRTUAL DEVELOPMENT

    Professor William Bains

    Professor William Bains, Chief Scientific Officer, Amedis Pharmaceuticals

  • So what’s the problem with in vitro screening?
  • In silico approaches: bringing ADMET into library design and hit selection
  • What is ‘high throughput’ in the computational world?
  • Modelling and prediction techniques for complex biological processes
  • Using raw data and historical data into knowledge for compound selection
  • Going beyond the negative – artificial intelligence technologies for identifying new drug leads
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    12:00

    COMPUTATION TECHNIQUES TO SPEED UP THE DRUG DISCOVERY PROCESS

    Dr Pieter Stouten

    Dr Pieter Stouten, Senior Research Advisor & Head, Computational Sciences, Nerviano Medical Science

  • Biopharmaceutical property predictions: quality and application
  • Docking and scoring: what works and what does not?
  • Constrained combinatorial library design
  • Beating the odds with structure-based design
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    12:40

    Lunch

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    14:00

    COMPUTATIONALLY-DRIVEN REITERATIVE SCREENING

    Dr Dennis Church

    Dr Dennis Church, Senior Scientist, Discovery Technologies, Serono

  • Substructure-based computational methods
  • Description of discrete substructural analysis (DSA)
  • Case Study: illustrating the use of DSA
  • Additional applications of the technology
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    14:40

    DEALING WITH THE EXPLOSION OF POTENTIAL TARGETS

    Dr Corinne Savill

    Dr Corinne Savill, Head, Drug Discovery Centre, Novartis

  • Target identification and validation
  • Advancing newly identified potential drug targets
  • From gene to screen to hit
  • Increasing efficacy and profitability during drug discovery
  • The future of target based drug discovery
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    15:20

    Afternoon Tea

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    15:40

    INCREASING EFFICIENCY IN THE HIT-TO-LEAD PROCESS

    Dr Phil Jones

    Dr Phil Jones, Section Head, Organon

  • Properties of hits and leads
  • Why do hits not make leads?
  • Knowledge management in the hit to lead process
  • Managing compound supplies
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    16:20

    MAXIMISING KNOWLEDGE DERIVED FROM DISCOVERY DATA

    Dr Susan Bassett

    Dr Susan Bassett, President, Bioreason

  • Automating discovery data analysis
  • Using computational intelligence methods to derive knowledge
  • Distinguishing signal from noise
  • Making informed decisions based on data analysis
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    17:00

    Chairman's Closing Remarks and Close of Conference

    The Hatton, at etc. venues

    51/53 Hatton Garden
    London EC1N 8HN
    United Kingdom

    The Hatton, at etc. venues

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    WHAT IS CPD?

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