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Lead optimisation is one of the major bottlenecks in the drug discovery process. Creating a new drug is lengthy and complex and the amount of money wasted on leads that fail is excessive. The pressure is on: get better lead compounds faster and at less cost. It is estimated that for every 100.000 compounds screened, about 100 hits are identified. Of these 100 hits only one makes it to the lead compound stage. Between 40% and 60% of these lead compounds fail ADMET testing. This major event brings together all the latest tools and techniques that you will need to optimise your drug development process.

The event features 20 sessions on the hit to lead process from key experts in Pfizer, Wyeth, Abbott, Novartis, Schering, AstraZeneca, Aventis, Bristol-Myers and many more.

The main Benefits of Attending - this event will help you to:
  • Assess best practice in target identifcation and validation
  • Implement knowledge management, process management and worklow tracking strategies in your hit to lead process
  • Assess new emerging hit to lead technologies
  • Define the best starting points for HTS
  • Select the most promising lead structures
  • Create real value in the drug discovery process
  • Reduce risk and expedite lead generation
  • Get from actives to hits to quality drug leads
  • Minimise preclinical attrition

Plus, lessons learned, new technology assessments, new methodologies, best practice sampling, process improvements, and much, much more...

Conference programme

8:30 Registration and Coffee

9:00 Chairman's Opening Remarks

Romano Kroemer

Romano Kroemer, Head, Molecular Modelling, Sanofi-Aventis

9:10 OPENING ADDRESS

Dr Paul England

Dr Paul England, Chief Executive Officer, ProXara Biotechnology

  • Target identification and validation
  • The importance of hit identification
  • Knowledge management in the hit to lead process
  • Crucial issues, implications and strategies to improve the drug discovery process
  • Emerging technologies
  • 9:40 COMPUTATIONAL APPROACHES TO LEAD DISCOVERY

    Dr Thomas Rush

    Dr Thomas Rush, Computational Chemist, Wyeth

  • Incorporating high-throughput docking into the lead discovery process
  • Optimizing virtual screening databases for success
  • Choosing the right sampling method
  • Tiered scoring protocols
  • Final scoring functions
  • 10:30 Morning Coffee

    10:50 NMR SCREENING AND ITS ROLE IN LEAD GENERATION AND OPTIMISATION

    Dr Philip Hajduk

    Dr Philip Hajduk, Senior Group Leader, NMR-Based Sceening, Abbott Laboratories

  • Fragment-based approaches in drug discovery and design
  • Lead identification and validation
  • Lead optimization – improving potency and pharmacokinetic properties
  • Examples from actual drug design programs
  • 11:30 DE NOVO LIGAND-BASED DESIGN

    Dr Philip Dean

    Dr Philip Dean, Chief Scientific Officer, De Novo Pharmaceuticals

  • De novo design in the absence of site structure information
  • New methodologies for defining pseudo-receptors
  • Pseudo-receptor model validation
  • De novo design within the pseudo-receptor
  • Value for drug discovery
  • 12:10 ALL’S WELL THAT BEGINS WELL

    Dr Jutta Blank

    Dr Jutta Blank, Laboratory Head, Assay Development & High-Throughput Screening, Novartis

  • Current strategies and technologies employed
  • Defining good ‘starting points’
  • High quality and well characterised hits for the hit-to-lead process
  • Hitting it hard: parallel and complementary approaches
  • Future perspectives
  • 12:50 Networking Lunch

    14:10 SILICON MEDICINAL CHEMISTRY IN DRUG DISCOVERY

    Dr John Mills

    Dr John Mills, Director, Biology, Amedis Pharmaceuticals

  • Advantages of a ‘fast follower’ strategy
  • Application of silicon switches and silicon-containing privileged structures
  • Silicon benefits – potency, selectivity, DMPK
  • Rapid entry into lead like structures
  • Broad applicability – proteases, GPCRs, kinases
  • 14:50 HOW TO SELECT THE MOST PROMISING LEAD STRUCTURES?

    Dr Wolfgang Schwede

    Dr Wolfgang Schwede, Group Leader, Medicinal Chemistry, Schering

  • Definition of clear selection criteria
  • Clear guidance and parallelisation of workflow from hit-to-lead
  • Current processes for hit selection
  • Illustrated examples
  • Lessons learnt
  • 15:30 Afternoon Tea

    15:50 RESEARCH INFORMATICS AS AN INTEGRATING FORCE TO IMPROVE DISCOVERY PROCESSES AND FACILITATE DECISION MAKING

    Dr Daivd Hartsough

    Dr Daivd Hartsough, Director, Informatics & Modeling, ArQule

  • Importance of accurate and timely data for decision making
  • Pitfalls of silo-based approaches
  • Necessity for solid infrastructure to support integrated informatics approach
  • Novel tools for datamining and analysis to facilitate decision making
  • Importance of process management and workflow tracking
  • Workflow awareness as a driver of efficient lead optimization
  • 16:30 STRUCTURE-BASED VIRTUAL SCREENING IN DRUG DISCOVERY

    Dr Romano Kroemer

    Dr Romano Kroemer, Head Molecular Modelling, Aventis (Paris)

  • Pose prediction validation: IBAC instead of RMSD
  • Limitations of scoring functions
  • Scoring function development
  • Protein flexibility
  • 17:10 IN SILICO SCREENING

    Dr Martin Packer

    Dr Martin Packer, Team Leader, Computational Chemistry, Astra Zeneca

  • Integrated informatics solutions for storing, retrieving and mining data
  • An overview of current in silico methods
  • Integrating various screening techniques (X-ray, NMR, HTS)
  • Optimising lead selection
  • Approaches to lead generation: combining HTS and virtual screening
  • The impact of in silico methods on lead finding and lead optimisation
    What are the benefits of in silico screening?
    Future perspectives
  • 17:50 Chairman’s Closing Remarks and Close of Day One

    8:30 Re-registration and Coffee

    9:00 Chairman's Opening Remarks

    Dr David Clark

    Dr David Clark, Director, Computer-Aided Drug Design & Knowledge Management, Argenta Discovery

    9:10 THE SUCCESSFUL INTEGRATION OF RATIONALE AND RANDOM TECHNIQUES IN DRUG DISCOVERY

  • The changing drug discovery paradigm in the current industry environment
  • Effectively integrating random (e.g. screening) and rational (e.g. structure based drug design) approaches
  • Predictive tools – integrated ADMET assays, computational chemistry methods and structural biology
  • The drug discovery process up to pre-clinical development
  • Dr Mark Whittaker

    Dr Mark Whittaker, Scientific Director, Services Division, Evotec OAI

    9:50 GENERATION AND OPTIMISATION OF DIVERSE LEAD PANELS OF THERAPEUTIC ANTIBODIES

    Dr Stephen Clulow

    Dr Stephen Clulow, Director, Screening Technology, Cambridge Antibody Technology

  • Affinity selections enable targeted screening and improve the quality of HTS hits
  • Challenges of specificity and cross-reactivity for biologicals
  • The relevance and quality of HTS influences the hit to lead process
  • Improving diversity of lead panels using knowledge of binding sites
  • Rapid progression to biological profiling improves lead selection
  • Lead optimisation for improved potency by generating rational and random diversity
    Process improvements to enable parallel optimisation of diverse lead panels
  • 10:30 Morning Coffee

    10:50 FRAGMENT-BASED APPROACHES: INNOVATIONS IN LEAD DISCOVERY

    Dr Miles Congreve

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

  • Crystallography: a fragment-based, lead discovery approach
  • Application of x-ray crystallographic screening
  • The development of lead compounds from ‘fragment’ hits
  • Using high throughput to look at the binding of these fragments into the active sites of target proteins
  • Advantages over conventional high-throughput screening
  • 11:30 COMPUTATIONAL APPROACHES TO LEAD OPTIMISATION

    Dr Claude Luttmann

    Dr Claude Luttmann, Head, Chemoinformatics, Aventis

  • Accelerating the emergence of the most promising drugs from genomics and combinatorial chemistry
  • Current methods for systematically designing optimum lead drug candidates
  • The use of bioinformatic and chemoinformatics
  • The need for computer-based screening
  • Docking and scoring: turning raw data in chemical information
    Benefits and pitfalls
  • The key to future success in discovery and development
  • 12:10 STRATEGIC ROLE OF PREDICTIVE ADME MODELLING IN DRUG DISCOVERY

    Dr Matthew Segall

    Dr Matthew Segall, Associate Director, in Silico Optimisation, Inpharmatica

  • Current status of in silico ADME modelling in drug discovery
  • Strategies for the development and implementation of in silico models
  • Examples of applications of in silico ADME to support drug discovery
  • The emerging role and progress of ADME in optimising drug discovery and development
  • Implementing in silico ADME predictions into the hit to lead phase
  • Future challenges and opportunities. Predictive toxicology?
  • 12:50 Networking Lunch

    14:10 PITFALLS OF BIOPHARMACEUTICAL PROPERTY PREDICTIONS

    Dr Pieter Stouten

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

  • Solubility prediction – the continued need for in-house development
  • Modelling bioavailability with simple descriptors – the danger of generalization
  • Protein binding models – data type and quality are key issues
  • 14:50 ADVANCES IN ION CHANNEL TESTING

    Andrew Bullen

    Andrew Bullen, Group Leader, Instrumentation Technologies Group, Bristol-Myers Squibb

  • Ion channels: target and/or liability?
  • Trends in assays and instruments for IC drug discovery
  • Positioning new IC technologies
  • Electrophysiology-specific informatics
  • The future of ion channels
  • 15:30 Afternoon Tea

    15:50 THE DEVELOPMENT OF SMALL- MOLECULE KINASE INHIBITORS AND STRATEGIES FOR DRUG DEVELOPMENT

    Dr Tomi Sawyer

    Dr Tomi Sawyer, Senior Vice President, Drug Discovery, ARIAD Pharmaceuticals

  • Identifying targets and understanding gene function
  • The superclass of protein kinases and relationship to disease
  • Ligand optimisation and generation integrating chemistry to advance novel kinase inhibitors
  • Strategies for drug development of kinase inhibitors
  • Status of clinical studies of kinase inhibitors
  • 16:30 FASTTM: AN APPROACH TO FRAGMENT-BASED LEAD DISCOVERY

    Dr Sean Buchanan

    Dr Sean Buchanan, Senior Director, Biochemistry & Project Leader, Kinase Programs, Structural GenomiX

  • Lead Discovery platform
  • FASTTM library designed to facilitate co-crystallization and to be compatible with parallel synthesis technologies
  • High throughput determination of target-small molecule complexes - SGX CAT
  • Structure-based and computationally driven lead optimisation
  • Potency and selectivity addressed concomitantly
  • Drug-like properties introduced from the outset of the optimisation process
  • 17:10 VIRTUAL SCREENING WORKFLOW DEVELOPMENT GUIDED BY THE ROC CURVE APPROACH

    Dr Hugues-Olivier Bertrand

    Dr Hugues-Olivier Bertrand, Senior Manager, Life Science Pre-Sales, Europe, Accelrys

  • Introduction to the Receiver Operating Characteristic (ROC) curve method in the context of drug design
  • ROC curve method in the development of virtual screening workflow.
  • Performance Evaluation of virtual screening protocols
  • Advantages and Limitations of  ROC curve models
  • Taking the right decision upon molecule selection
  • Application to metabotropic glutamate receptor subtype 4 agonists
  • 17:50 Chairman's Closing Remarks and Close of Conference

    +

    Workshops

    From Hit to Lead to Candidate - What's Stopping You ?
    Workshop

    From Hit to Lead to Candidate - What's Stopping You ?

    The Hatton, at etc. venues
    29th September 2004
    London, United Kingdom

    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?

    CPD stands for Continuing Professional Development’. It is essentially a philosophy, which maintains that in order to be effective, learning should be organised and structured. The most common definition is:

    ‘A commitment to structured skills and knowledge enhancement for Personal or Professional competence’

    CPD is a common requirement of individual membership with professional bodies and Institutes. Increasingly, employers also expect their staff to undertake regular CPD activities.

    Undertaken over a period of time, CPD ensures that educational qualifications do not become obsolete, and allows for best practice and professional standards to be upheld.

    CPD can be undertaken through a variety of learning activities including instructor led training courses, seminars and conferences, e:learning modules or structured reading.

    CPD AND PROFESSIONAL INSTITUTES

    There are approximately 470 institutes in the UK across all industry sectors, with a collective membership of circa 4 million professionals, and they all expect their members to undertake CPD.

    For some institutes undertaking CPD is mandatory e.g. accountancy and law, and linked to a licence to practice, for others it’s obligatory. By ensuring that their members undertake CPD, the professional bodies seek to ensure that professional standards, legislative awareness and ethical practices are maintained.

    CPD Schemes often run over the period of a year and the institutes generally provide online tools for their members to record and reflect on their CPD activities.

    TYPICAL CPD SCHEMES AND RECORDING OF CPD (CPD points and hours)

    Professional bodies and Institutes CPD schemes are either structured as ‘Input’ or ‘Output’ based.

    ‘Input’ based schemes list a precise number of CPD hours that individuals must achieve within a given time period. These schemes can also use different ‘currencies’ such as points, merits, units or credits, where an individual must accumulate the number required. These currencies are usually based on time i.e. 1 CPD point = 1 hour of learning.

    ‘Output’ based schemes are learner centred. They require individuals to set learning goals that align to professional competencies, or personal development objectives. These schemes also list different ways to achieve the learning goals e.g. training courses, seminars or e:learning, which enables an individual to complete their CPD through their preferred mode of learning.

    The majority of Input and Output based schemes actively encourage individuals to seek appropriate CPD activities independently.

    As a formal provider of CPD certified activities, SMI Group can provide an indication of the learning benefit gained and the typical completion. However, it is ultimately the responsibility of the delegate to evaluate their learning, and record it correctly in line with their professional body’s or employers requirements.

    GLOBAL CPD

    Increasingly, international and emerging markets are ‘professionalising’ their workforces and looking to the UK to benchmark educational standards. The undertaking of CPD is now increasingly expected of any individual employed within today’s global marketplace.

    CPD Certificates

    We can provide a certificate for all our accredited events. To request a CPD certificate for a conference , workshop, master classes you have attended please email events@smi-online.co.uk

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