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Traditionally, the process of discovering and developing new drugs is one that is time-consuming, laborious and extremely costly. Recent advances in drug design, including computational chemistry, combinatorial chemistry and molecular modelling, may have the potential to overcome the shortcomings of conventional approaches and revolutionise drug design methodologies. Indeed, there has already been considerable improvement in increasing drug potency and specificity, with huge commercial impact world-wide.

At this key stage in the drug design industry, SMi have recognised the need to evaluate these advances to provide a stepping stone for further developments. The conference will focus on key issues such as the potential of non-protein targets for medical drugs, developments in computer aided drug design and using genomic information to transform the role of structure in drug discovery. You will be given the chance to meet with your peers and exchange ideas that will help carry drug design into the future.

Why should you attend this event?

This comprehensive conference is organised and produced by SMi: we specialise in providing senior executives with timely, strategic and focused up to date information. SMi conferences are leading-edge business events offering delegates the opportunity to meet senior industry figures and seek their advice and opinions. The conference will of course also be an ideal opportunity for you to network with a focused and appropriate audience.

Please register now to guarantee your place at this important conference.

Conference programme

8:30 Registration and Coffee

9:00 Chairman's Opening Remarks

Dr Shubh Sharma

Dr Shubh Sharma, Vice President, Chief Technical Officer, Palatin Technologies

9:10 USING 3D STRUCTURES FOR DRUG DESIGN

Dr Vincent Mikol

Dr Vincent Mikol, Head, Structural Biology and Molecular Modelling, Aventis Pharma

  • X-Ray chrystallography: what can it tell us?
  • NMR spectroscopy: applications and uses
  • Docking and scoring: fact or fantasy?
  • Case studies: Fxa and farnesyl transferase inhibitors
  • 9:40 NOVEL LEAD GENERATION USING X-RAY CRYSTALLOGRAPHY

    Dr Harren Jhoti

    Dr Harren Jhoti, Founder and Chief Scientific Officer, Astex Technology

  • Drug design using protein structure
  • The use of X-ray crystallography as a method for screening low affinity compounds
  • Generating libraries of ‘molecular fragments’
  • Rapid optimisation of initial leads using structure-based design
  • Exploiting systems-based research to target multiple members of a protein family
  • 10:20 THE IDEAL MARRIAGE: DRUG DESIGN AND HIGH THROUGHPUT COMBINATORIAL CHEMISTRY

    Dr David U’Prichard

    Dr David U’Prichard, Chief Executive Officer, 3-Dimensional Pharmaceuticals

  • History of SBDD: X-ray crystallography and NMR
  • HTS and ‘just in time’ combichem
  • Biophysics of target proteins: importance in both SBDD and HTS/HTCC
  • Integration of target structure analytic information into the design of focused libraries at 3D Pharmaceuticals
  • Oral thrombin inhibitors: an example of a successful marriage
  • 11:00 Morning Coffee

    11:20 PROBABILISTIC RECEPTOR POTENTIALS

    Dr Wolfram Altenhofen

    Dr Wolfram Altenhofen, Director of Scientific Services, Chemical Computing Group Limited

    12:00 MULTIDIMENSIONAL CHALLENGE OF DRUG DISCOVERY

    Dr Petr Kocis

    Dr Petr Kocis, Associate Director, Enabling Science and Technology, Chemistry, AstraZeneca Pharmaceuticals

  • Design of combinatorial libraries
  • Biomolecular recognition insight
  • Synthetic accessibility: reality check?
  • ADMET
  • Fly-through combinatorial profiling
  • Medicinally relevant property space
  • 12:40 Lunch

    13:40 THE SIGNAL TRANDUCTION PIPELINE IN DRUG DESIGN

    Dr Serge Halazy

    Dr Serge Halazy, Head of Chemistry, Serono Pharmaceutical Research Institute

  • Proteins and small molecules
  • Drugable new targets from genomics
  • Functional proteonomics and chemistry in drug design
  • Targets validation
  • Examples from the kinases and phosphatases world
  • 14:20 DRUG DISCOVERY USING A FRAGMENT-BASED APPROACH

    Dr Brian Raimundo

    Dr Brian Raimundo, Staff Scientist, Sunesis Pharmaceuticals

  • Understanding features of protein surfaces
  • Strategies to identify fragments
  • Characterisation of weak binders
  • Integrating characterised fragments into a drug discovery programme
  • Optimisation of small molecule inhibitors to a protein:protein interaction
  • 15:00 MOLECULAR MODELLING BRIDGING BIOLOGY AND CHEMISTRY

    Dr Laurie Castonguay

    Dr Laurie Castonguay, Research Fellow, Merck Research Laboratories

  • Translating SAR to a pharmacophore model
  • Development of a receptor model and the caveats
  • Impact of the bovine rhodopsin crystal structure on GPCR Models
  • Identifying the binding site
  • Design of mutagenesis experiments
  • Addressing selectivity issues
  • 15:40 Afternoon Tea

    16:00 QUANTUM CORE TECHNOLOGY (QCT) FOR THE DESIGN OF NEW PROTEASE INHBITORS

    Dr Dorit Arad

    Dr Dorit Arad, Vice President, Drug Creation, Exegenics

  • QCT and Oasis as platform technologies for general enzyme inhibitors design
  • New classification of enzymes based on mechanism
  • 16:40 NON PROTEIN TARGETS FOR MEDICAL DRUGS

    Dr Jonas Ekblom

    Dr Jonas Ekblom, Director of Assay Development and Screening, Biovitrum

  • The concept of RNA as a drug target
  • How can small molecules affect translation?
  • RNA Structures
  • HTS for RNA interacting drugs
  • Modulation of gene expression
  • Future possibilities
  • 17:20 EVOLUTIONARY COMPUTING AND DRUG DESIGN

    Dr Jonathan Schmidt

    Dr Jonathan Schmidt, Vice President, Drug Design, SignalGene

  • The use of chemotype shifting in lead discovery and optimization
  • Common surface properties and diverse scaffolds: recognition and mimicry
  • Approaches to ligand-based design: evolving fit molecules
  • Dealing with molecular conformations and alignments
  • Water, water, everywhere
  • Evolving combinatorial libraries to test design hypotheses
  • 18:00 Chairman’s Closing Remarks and Close of Day One

    8:30 Re-registration and Coffee

    9:00 Chairman's Opening Remarks

    Dr Krzysztof Appelt

    Dr Krzysztof Appelt, Senior Vice President, Drug Discovery and Development, Quorex Pharmaceuticals

    9:10 REDUCING DESIGNS TO PRACTICE

    Dr David Bailey

    Dr David Bailey, Chief Executive Officer, De Novo Pharmaceuticals

  • Generating diversity and novelty by de novo design
  • Stucture-based design methodologies
  • Ligand-based de novo design by molecular similarity studies and a superposition of partially similar actives
  • Combinatorial library generation
  • Commercial potential of breakthrough drug design technologies
  • Case study
  • 9:40 CRITICAL DECISION PATHWAYS IN DRUG DISCOVERY AND DEVELOPMENT

    Dr Ana Menendez

    Dr Ana Menendez, Director, Drug Discovery, Magellan Laboratories

  • Reality checks on ‘blockbuster’ development
  • Targeting entire cellular pathways to fill ‘white space’ opportunities
  • Bypassing the protein: gene based high-throughput screening for small MW drugs
  • Rational identification of galenic characteristics necessary to treat disease state
  • Overcoming hurdles in lead optimisation
  • Case study: the XR842 story
  • 10:20 DRUG DISCOVERY AND DEVELOPMENT: A GAME OF 20 QUESTIONS

    Dr Dennis Underwood

    Dr Dennis Underwood, Director, Bristol-Myers Squibb Pharmaceuticals

  • The complexities of drug discovery and development and the role of new technologies
  • Abstracting molecular recognition; the challenge of representing different structural types and different binding modes
  • Building pharmacophores and using this information to design compounds and libraries to optimise efficiency
  • Privileged structures: the balance between privilege and promiscuity
  • Pattern discovery in protein sequence space: discovering the functional significance of motifs
  • Accessing and integrating chemical, biological, structural and genomic data
  • 11:00 Morning Coffee

    11:20 RATIONAL DRUG DESIGN TECHNIQUES: AN INTRODUCTION

    Dr Jean-Pierre Wery

    Dr Jean-Pierre Wery, Head, Information Sciences, Eli Lilly & Company

  • Introduction to the input of biocomputing in drug design
  • Leave it to the software: choice of compounds
  • Numerous compounds at your fingertips: software capabilities
  • Optimising the pharmacological profile of existing drugs
  • Comparing biological function against a database of proteins of known function
  • Help in understanding molecular workings of given structures
  • 12:00 COMPUTER AIDED DRUG DESIGN (CADD) METHODS FOR DRUG DISCOVERY

    Dr M. Rami Reddy

    Dr M. Rami Reddy, Senior Director of Computational Chemistry and Information Technology, Metabasis Therapeutics

  • Introduction to Computer Aided Drug Design
  • Optimisation of a lead inhibitor: a flowchart
  • Methods for optimisation of a lead inhibitor: molecular mechanics calculations, structure-based 3D QSAR, free energy perturbation (FEP) calculations
  • Limitations of lead optimisation methods
  • Other methods for lead optimisation
  • CADD successes and limitations
  • 12:40 Lunch

    13:40 METAL ION-INDUCED DISTINCTIVE ARRAY OF STRUCTURES

    Dr Shubh Sharma

    Dr Shubh Sharma, Vice President, Chief Technical Officer, Palatin Technologies

  • Metal ion-induced distinctive array of structures (MIDAS): a novel broad based drug discovery platform
  • Utilising well-defined rigid molecules obtained by complexing a metal ion to a pre-designed linear peptide
  • A platform for development of potent receptor-specific lead therapeutics
  • The ‘conformational walk’ approach: rapid elucidation of key structural motifs and definition of pharmacophore models without input from contemporary tools
  • Providing for rational transformation of pharmacophores into small molecule drug leads
  • 14:20 A UNIQUE COMPUTATIONAL APPROACH TO QUICKEN THE PACE OF DRUG DISCOVERY

    Dr William Moore

    Dr William Moore, Vice President, Research and Development, Chief Scientific Officer, Locus Discovery

  • Discovery strategies are driven by the technology
  • Early successes and challenges
  • Predicting and ranking ‘hits’
  • Medicinal chemistry efficiencies
  • Optimising ‘hits’ into ‘leads’
  • Program results
  • 15:00 Afternoon Tea

    15:20 DRUG DISCOVERY IN THREE DIMENSIONS

    Dr Eric de La Fortelle

    Dr Eric de La Fortelle, Director of Business Development, Structural GenomiX

  • Using gene orthologs increases the probability of crystal structure success
  • Exploration of protein families: structural information on anti-targets for rational design of selective compounds
  • Validation of animal models at the molecular level: e.g. how similar is the mouse protein active site as compared to human?
  • Maximised efficiency in lead discovery by coupling computational and experimental approaches
  • SGX programs and examples
  • 16:00 DECISION SUPPORT FOR MULTICRITERIA FORMULATION DESIGN

    Dr Jerry Winter

    Dr Jerry Winter, Knowledge Management Programme Manager, Unilever Research

  • Managing data and managing knowledge
  • Coping with complexity
  • Coping with variability and noise
  • Performance/cost optimisation
  • 16:40 ENHANCING THE SPEED AND EFFECTIVENESS OF THE DRUG DESIGN PROCESS

    Dr David Webster

    Dr David Webster, President, The Webster Consulting Group

  • Scientists, not technology, will drive increases in R&D productivity
  • The role of individual and group incentives in drug design
  • How poorly designed incentives can distort the drug design process
  • Optimal incentives depend on organization and project specific attributes
  • A drug design incentive framework
  • Framework illustration: drug design case study
  • 17:20 Chairman's Closing Remarks and Close of Conference

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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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