Home
overview

Drug design continues to be an increasingly essential, whilst expensive challenge for the pharmaceutical and biotechnology industry. Recent advances in the field, including computational chemistry, combinational chemistry and pharmacognosy, may have the ability to overcome the shortcomings of conventional techniques and revolutionise drug design methodologies. Already we have seen considerable improvements in drug potency and specificity having a huge commercial impact worldwide.

SMi’s ‘Drug Design V’ will address how both the pharmaceutical and biotechnology industries can identify early failures whilst increasing the number of potential hits quicker and faster with new techniques being made available. This event will bring together high level industry representatives to discuss in detail the latest improvements in the field of drug design. Key issues to be discussed include QSAR, pharmacognosy, and ADME/TOX, whilst also focussing on new ways to use existing methods such as structure based drug design, virtual screening and library design to ensure the greatest success possible.

 Speakers at this event include:

  • Dr Joseph Bolen, Senior Vice President, Discovery, Millennium
  • Dr Jeffrey Wiseman, Vice President & Officer, Technology & Informatics, Locus Pharmaceuticals
  • Dr Jonathan Mason, Executive Director, Medicinal Informatics Structure & Design, Pfizer
  • Dr Alexander Alex, Director, Pfizer
  • Dr Michael Hennig, Vice Director, Molecular Structure Research, F. Hoffmann-La Roche
  • Dr Philip Jewsbury, Associate Director, Computational Chemistry, AstraZeneca

      Conference programme

      8:30 Registration & Coffee

      9:00 Chairman's Opening Remarks

      Jeffrey Wiseman

      Jeffrey Wiseman, Vice President & Officer, Technology & Informatics, Locus Pharmaceuticals

      9:10 SCREEN-TO-CANDIDATE DRUG DESIGN

      Jeffrey Wiseman

      Jeffrey Wiseman, Vice President & Officer, Technology & Informatics, Locus Pharmaceuticals

    • Does a fragment-based free energy calculation exist for structure-based design?
    • If we can compute free energy, what else do we need?
    • How do we assemble fragments into virtual molecules?
    • If we can predict ligand free energies, why do we need screening?
    • Can we break the dependence on crystal structures?
    • Where does structure-based design have the biggest impact?
    • 9:50 STRUCTURE-BASED LEAD GENERATION AND OPTIMISATION

      Michael Hennig

      Michael Hennig, Vice Director, Molecular Structure Research, F. Hoffmann-La Roche

    • Complementary of high-throughput screening and rational drug design
    • Hit and lead profiling by biophysical methods and x-ray structures
    • Structure guided improvement of compound potency and molecular properties
    • Decision-making and structure information
    • 10:30 Morning Coffee

      10:50 STRUCTURE-BASED DESIGN OF SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS)

      Stanley Krystek

      Stanley Krystek, Principal Scientist, Bristol-Myers Squibb

    • Compound discovery and chemotype selection
    • Similarity searching, virtual screening and HTS
    • Molecular docking
    • AR variants and structural biology of androgen receptors
    • Molecular properties, ligand SAR and scaffold selection
    • Compound optimisation and preclinical profile
    • 11:30 THERMODYNAMIC APPROACHES TO DRUG DESIGN

      Niall English

      Niall English, Applications Scientist, Chemical Computing Group

    • Use of molecular dynamics configuration sampling
    • Study of the effects of implicit and explicit solvation on energy convergence
    • Development of appropriate surface area descriptors
    • Application of the technique to specific protein-ligand groups and discussion of performance
    • 12:10 RATIONAL DRUG DESIGN TECHNIQUES

      Philip  Jewsbury

      Philip Jewsbury, Associate Director, Computational Chemistry, AstraZeneca

    • Protein-based approaches
    • Small molecule approaches
    • Property-based design
    • 12:50 Networking Lunch

      14:00 DEVELOPMENT AND RAPID VALIDATION OF BAYESIAN MODELS FOR MULTIPLE ACTIVITY CLASSES

      Robert  Brown

      Robert Brown, Senior Director, SciTegic

    • Extension of bayesian statistics to handle multiple end points
    • Fast cross-validation method for models with very large numbers of observations
    • Case study: virtual screening using models of drug compendia
    • 14:40 CANDIDATE DESIGN AT THE INTERACTIVE INTERFACE OF MAN AND COMPUTER

      James Wikel

      James Wikel, Chief Technical Officer, Coalesix Inc

    • Strengthening the bond between computational chemistry (methods, algorithms, software) and medicinal chemistry (insight/intuition/experience)
    • What is IEC and why use it for drug candidate design
    • Applying effective knowledge management from multidimensional data
    • How do we incorporate the scientist’s intuition and expertise during in silico optimisations?
    • How do we provide an environment for multicriteria optimisation?
    • 15:20 Afternoon Tea

      16:00 ACCELERATING PROJECT DECISIONS IN A BIOTECH USING MEDICINAL CHEMISTRY

      Charles Hedgecock

      Charles Hedgecock, Director, Medicinal Chemistry, Biovitrum AB

    • Fragments, lead-like molecules or SBDD?
    • Timelines and decision points
    • Using x-ray crystallography and NMR
    • Lead optimisation phase - earlier or later?
    • 16:40 APPLICATION OF PHARMACOKINETICS IN LEAD OPTIMISATION

      George  Tonn

      George Tonn, Sr. Principal Scientist, Amgen

    • When and how should pharmacokinetics be implemented during lead optimisation?
    • Designing studies for understanding and weighting of in vitro ADME data
    • 17:20 Chairman’s Closing Remarks and Close of Day One

      17:25 Drinks Reception Sponsored by Chemical Computing Group

      8:30 Registration & Coffee

      9:00 Chairman's Opening Remarks

      Joseph Bolen

      Joseph Bolen, Senior Vice President, Discovery, Millennium Pharmaceuticals

      9:10 NATURE INFORMATICS

      Hajo Schiewe

      Hajo Schiewe, Director, Scientific Development, Analyticon Discovery

    • Natural products in drug discovery: modern approaches
    • Nature’s biggest hurdle for natural product based drug discovery
    • Combining the best of both worlds: Chemistry and natural products
    • Natural products as biologically validated starting points for library design
    • Virtual screening of natural products (case study)
    • 9:50 RISK MANAGEMENT FOR PRODUCTIVITY AND ATTRITION: DIFFERENTIAL APPROACHES BY TARGET-CLASS AND BY WORKING IN BIOLOGICAL SPACE

      Jonathan Mason

      Jonathan Mason, Executive Director, Medicinal Informatics,Structure & Design, Pfizer Global Research + Development

    • Large-scale analysis of all available biological data
    • Target-class differentiated properties for activity
    • Identifying the drugable targets
    • Early assessment of safety and optimisation risks
    • Using biological fingerprints to select leads and orthogonalise attrition risks
    • Flaws in a chemotype approach
    • 10:30 Morning Coffee

      11:00 MOLECULAR TRANSFORMATIONS AS A WAY OF FINDING AND EXPLOITING CONSISTENT LOCAL QSAR

      Peter Hunt

      Peter Hunt, Research Fellow, Merck Sharp & Dohme

    • Descriptor transformation vectors and MCS methodologies highlighting local QSAR
    • How does clustering of these transformations show local trends within data which may not be apparent from global models?
    • Coding will be presented which deals with elucidating the data within a data set (T-Analyse) and it’s application to probe molecules of interest (T- Morph)
    • Using methodologies applicable to any data set or collection of sets
    • 11:40 LOW AFFINITY MEASUREMENTS AND LEAD OPTIMISATION: A THERMODYNAMIC APPROACH

      Ronan  O'Brien

      Ronan O'Brien, Application Scientist, MicroCal LLC

    • Energetic Based Lead Optimisation
    • Reducing Failures In DMPK
    • 12:20 Networking Lunch

      13:50 CELL-BASED SCREENING APPROACHES OF GENETIC AND CHEMICAL MODULATORS OF PROTEIN HOMEOSTASIS

      Joseph Bolen

      Joseph Bolen, Senior Vice President, Discovery, Millennium Pharmaceuticals

    • Benefits of cell-based screening
    • Alignment of genetic and chemical target assessment
    • Utilisation of cellular imaging technologies
    • Utilisation of statistical analysis

    • 14:30 VIRTUAL SCREENING AT THE HIT-TO-LEAD STAGE

      Alexander Alex

      Alexander Alex, Director, Pfizer

    • Where can virtual screening add value in hit-to-lead?
    • Comparison of ligand-based and structure-based virtual screening
    • Effectiveness of virtual screening methods and success rates
    • Expanding the areas of application for virtual screening

    • 15:10 Afternoon Tea

      15:40 DOCK AROUND THE CLOCK

      Ulrich Rester

      Ulrich Rester, Laboratory Head, Computational Chemistry, Bayer Healthcare

    • The "Art" of virtual screening
    • The challenge
    • Integration of virtual and high-throughput screening
    • Fragment identification via receptor-based virtual screening

    • 16:20 FINDING POTENT AND SOLUBLE HITS THROUGH VIRTUAL SCREENING

      Pieter Stouten

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

    • Simultaneous optimisation of multiple properties
    • Comparison of solubility prediction programmes
    • Successes and failures of docking campaigns
    • Impact on library design

    • 17:00 Chairman’s Closing Remarks and Close of Day One

      +

      The Grange Holborn Hotel

      50-60 Southampton Row
      London WC1B 4AR
      United Kingdom

      The Grange Holborn Hotel

      HOTEL BOOKING FORM

      Title

      SubTitle
      speaker image

      Content


      Title


      Description

      Download


      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

      Event Title

      Headline

      Text
      Read More

      I would like to speak at an event

      I would like to attend an event

      I would like to sponsor/exhibit at an event

      SIGN UP OR LOGIN

      Sign up
      Forgotten Password?

      Contact SMi GROUP LTD

      UK Office
      Opening Hours: 9.00 - 17.30 (local time)
      SMi Group Ltd, 1 Westminster Bridge Road, London, SE1 7XW, United Kingdom
      Tel: +44 (0) 20 7827 6000 Fax: +44 (0) 20 7827 6001
      Website: http://www.smi-online.co.uk Email: events@smi-online.co.uk
      Registered in England No: 3779287 VAT No: GB 976 2951 71




      Forgotten Password

      Please enter the email address you registered with. We will email you a new password.