Home
overview

The conference will look at computational (in silico) and biochemical approaches to understanding how a lead drug candidate will interact with cells and eventually how the organism will react to particular drugs. Reliable predictive analytical models could be the key to cutting the costs and time involved in drug discovery/development.

This is an area that is really still in its infancy but all big pharma are keen to implement systems to be at the cutting edge and minimize unnecessary expenditure on drug candidates that are not going to make it through clinical trials.

The conference will look at design, implementation, use and validation of systems to model cell and eventually organism reaction to drugs or conditions. These can then be used to predict how a drug will work and what the likely side effects will be.

Benefits of attending:
IN SILICO MODELLING: discover the latest developments
ADME & TOXICITY: learn about the latest in silico approaches for ADME prediction
DATA-DRIVEN COMPUTER SIMULATION: find out about the latest technologies
DELIVERY AND FORMULATION: learn about the need for in silico modelling in drug delivery
IN VITRO TO IN SILICO: do in vitro models explain in silico results or vice versa?
NETWORKING: meet key decision-makers
DRUG DISCOVERY: maximise the efficiency of drug discovery and development

Dr Andy Davis, Associate Director, Physical & Metabolic Science, Senior Principal Scientist, AstraZeneca
Dr Gerhard Gross, PCS-EU/ADME Section Head, Novartis
Dr Alan Wilson, Senior Director & Senior Fellow, Pharmacia
Dr Roy Vaz, Head, Investigative PK, Aventis
Dr Yvonne Martin, Senior Volwiler Fellow, Abbott Laboratories
Dr Tom Paterson, Chief Scientific Officer, Entelos
Dr Jeremy Levin, President & Chief Executive Officer, Physiome Sciences
Dr Wolfgang Sauer, Head, Computational Chemistry, Serono
Dr Colin Hill, Chief Executive Officer & President, Gene Network Sciences
Dr Stuart Freeman, Director, Toxicology, GlaxoSmithKline Consumer Healthcare

“Promises to be an interesting and informative conference.”
SMi pharmaceuticals development, 2002

Conference programme

8:30 Registration and Coffee

9:00 Chairman's Opening Remarks

Dr Alan Wilson

Dr Alan Wilson, Senior Director & Senior Fellow, Pharmacia

9:10 STRUCTURAL-NEUTRAL MODELS FOR PROTEIN INTERACTIONS

Dr Jonathon Swinton

Dr Jonathon Swinton, Senior Computational Biologist, Proteom

  • In silico drug design is beginning to work for targets of known structure with small ‘pockets’
  • However, huge numbers of processes are mediated by protein-protein interactions, which have historically been considered intractable
  • Many key drug targets do not, in any case, even have well characterised structures and discovery has proceeded by screening techniques
  • There is opportunity for techniques of wider validity than docking but higher efficiency than random screening
  • We describe recent developments in these structure-neutral techniques which can exploit but do not require specific structural data
  • We give examples from binding site prediction, peptide ligand design, and protein interaction network prediction
  • 9:40 WEEDING OUT COMPLEX NETWORKS TO FIND DRUG TARGETS

    Dr Eric Werner

    Dr Eric Werner, President, Cellnomica

  • Genomic networks are a formidable challenge
  • The key is to understand the meaning of such networks in function and dynamics of multicellular systems
  • In silico modelling of multicellular dynamic systems can help us in the understanding of genome networks
  • When genomic networks are better understood, it positions us to weed out the complexity to find essential drug targets
  • We will discuss in silico systems developed at Cellnomica that model networks causing in silico multicellular diseases such as cancer
  • This will bring us closer to the discovery of natural genomic networks and their role in disease
  • 10:20 TRANSFAC AND TRANSPATH

    Holger Karas

    Holger Karas, Senior Vice President, Business Development, BIOBASE

  • Content versus algorithm
  • From pathway to a disease network
  • Integration of gene expression and proteomics data
  • Application example and proof
  • 11:00 Morning Coffee

    11:20 A CHEMIST’S VIEW OF HERG

    Dr Roy Vaz

    Dr Roy Vaz, Head, Investigative PK, Aventis

  • A simplistic view of the cardiac potential
  • Structural model for the HERG ion channel together with a 3D-QSAR model
  • Possible uses of the tools in designing compounds without HERG activity
  • 12:00 IN SILICO APPROACHES TO LEAD OPTIMISATION

    Dr Andy Davis

    Dr Andy Davis, Associate Director, Physical & Metabolic Science, Senior Principal Scientist, AstraZeneca

  • What can database analysis tell us about leads and drugs?
  • The use of SARs and QSARs in lead optimisation
  • The opportunities and pitfalls of structure-based design
  • Controlling ADME while optimising potency…the easy and the hard way
  • 12:40 Lunch

    13:40 COMPUTATIONAL AND DATABASE APPROACHES

    Daniel Domine

    Daniel Domine, Cheminformatics Scientist, Serono

  • The application of chem-tox informatics in drug discovery
  • Algorithms for converting toxicology data into focused databases
  • Comprehensive data mining approaches
  • Statistical correlations of toxicity with chemical structure in large datasets
  • Designing virtual chemical libraries using toxicology information
  • Predicting the impact of optimisation schemes on both efficacy and toxicity
  • 14:20 INTEGRATION OF HETEROGENEOUS DATA FOR LARGE-SCALE, DATA-DRIVEN COMPUTER SIMULATIONS

    Dr Colin Hill

    Dr Colin Hill, President & Chief Executive Officer, Gene Network Sciences

  • Data-driven computer simulations of the gene expression networks, signal transduction pathways, and metabolic pathways within a cell
  • Mining the literature, ranking results from the literature search, mapping the interactions using the Diagrammatic Cell Language ™ (DCL) and VisualCell™
  • Parsing the molecular models into the database and mathematical equations ready for simulation
  • Quantitative experiments to refine computer simulations and to validate predictions from the models
  • Can we ever expect a truly predictive in silico model?
  • World’s largest model of colon cancer cell and the GNS E. coli model
  • 15:00 VIRTUAL HUMANS FOR IMPROVED DESIGN AND OPTIMISATION OF DRUGS

    Dr David Leahy

    Dr David Leahy, Founder & Chief Scientific Officer, Cyprotex

  • The ‘virtual human’ is a collection of mathematical equations that model mammalian physiology that need to be provided in an accessible format for company-wide use
  • Increasing the throughput and reproducibility of ADME screens to drive simulations and build highly-predictive quantitative models
  • Shows levels of accuracy that surpass other existing methods of pharmacokinetic analysis
  • Potential improvements to productivity in drug development through the use of the ‘virtual human’ throughout the value chain
  • 15:40 Afternoon Tea

    16:00 ADME: CRITICAL TO DRUG DEVELOPMENT

    Dr Gerhard Gross

    Dr Gerhard Gross, PCS-EU/ADME Section Head, Novartis

  • Current in silico approaches for ADME prediction
  • Examples of in silico models in ADME
  • Tools available for modelling ADME/TOX data
  • Importance of studying ADME properties of an NCE for gaining drug approval
  • Metabolic drug-drug interactions in silico, in vitro, in vivo
  • Approaches to present and analyse metabolic pathways
  • 16:40 IN VITRO APPROACHES TO PRE-CLINICAL DRUG DEVELOPMENT

    Dr Nicola Hewitt

    Dr Nicola Hewitt, European Business Development Consultant, In Vitro Technologies

  • Each model has its own place in the screening for a lead compound. Each gives us an answer to a question but which questions are most relevant? How do we place importance on the results we obtain?
  • Here, in vitro models are described and their application to drug selection is evaluated
  • Methods for early compound high-throughput screening – quality or quantity?
  • Determination of species differences in metabolism and toxicity
  • Prediction of drug-drug interactions using in vitro methods
  • In vitro – in vivo correlations
  • 17:20 Chairman’s Closing Remarks and Close of Day One

    8:30 Re-registration and Coffee

    9:00 Chairman's Opening Remarks

    Holger Karas

    Holger Karas, Senior Vice President, Business Development, BIOBASE

    9:10 THE EMERGING ROLE OF IN SILICO ADME AND TOXICITY PREDICTION IN DRUG DEVELOPMENT

    Dr Alan Wilson

    Dr Alan Wilson, Senior Director & Senior Fellow, Pharmacia

  • Discussion of current in silico approaches for ADME and toxicity prediction
  • Integrating predictive modelling into high throughput screening strategies and funnels
  • Integrating in silico models with other emerging technologies
  • Examples of application of in silico models
  • Future opportunities: realities and promise
  • 9:40 CHALLENGING IN SILICO MODELS FOR PREDICTING BIOLOGICAL PROPERTIES FROM MOLECULAR STRUCTURE

    Dr Yvonne Martin

    Dr Yvonne Martin, Senior Volwiler Fellow, Abbott Laboratories

  • One must challenge the models with data that they haven’t seen
  • How predictive are current models of ADME properties?
  • Are models derived from a related set of molecules more accurate?
  • Does having the 3D structure of the target protein improve the predictivity of models?
  • What are the pitfalls in building such in silico models?
  • 10:20 IN SILICO TO IN VIVO

    Dr William Bains

    Dr William Bains, Founder, Delta G

  • What can the computer tell us about what will happen when a drug interacts with a complex organism?
  • Are advanced ‘artificial intelligence’ methods just another type of QSAR?
  • Do in vitro models explain in silico results or visa versa?
  • Can in silico results be used to guide safety and tolerability in man?
  • Even if software can become a valuable replacement for biology, can a business be made from it?
  • 11:00 Morning Coffee

    11:20 ADVANCED METHODS FOR PREDICTING STRUCTURE-PROPERTY RELATIONSHIPS

    Dr Walter Woltosz

    Dr Walter Woltosz, Chairman & Chief Executive Officer, Simulations Plus

  • All models are built from limited data sets – even the largest databases are subsets of total chemical space
  • As new data are acquired that extend chemical space, models must be retrained
  • Creating high quality artificial neural network ensemble models is not trivial
  • A powerful new automated methodology will be described and demonstrated
  • Implementation of new models provides predictions for over 750,000 compounds per hour
  • 12:00 WHOLE BODY IN SILICO MODELS OF HUMAN DISEASES

    Dr Tom Paterson

    Dr Tom Paterson, Chief Scientific Officer, Entelos

  • The case for whole-body disease models
  • Top-down modelling of disease pathophysiology
  • Understanding systemic implications of alternate hypotheses
  • Applications across all stages of drug discovery and development
  • Target identification and validation: the marriage with experimental science
  • Using virtual patients for in silico target evaluation

    Biomarker identification

  • 12:40 Lunch

    14:40 DRUG DELIVERY

    Dr Jamshed Anwar

    Dr Jamshed Anwar, Reader, Computational Pharmaceutical Sciences, King’s College London

  • Significance and the need for in silico modelling in drug delivery and formulation
  • Molecular simulations: methodology, insights, prediction and limitations
  • Applications: transport of drugs through membranes and the elucidation of the mechanism of action of skin penetration enhancers; towards crystal engineering and polymorphism; first principles calculation of thermodynamic properties including solubilities; simulation of compaction of powders and tabletting
  • 14:40 INTEGRATING COMPUTER-BASED DE NOVO DRUG DESIGN WITH MULTIDIMENSIONAL ADME/TOX FILTERING

    Dr Bruno Boulanger

    Dr Bruno Boulanger, European Manager, Statistics & Information Sciences, Eli Lilly and Company

  • Computer-based de novo drug design, state of the art
  • ADME/TOX model building. Requirements and validation
  • In silico crash testing of molecules
  • Multiple optimisation methods
  • Integration of ab-initio methods and filtering methods
  • Integration of computational and experimental sciences
  • 15:20 APPLICATION OF AN IN VITRO HUMAN EPIDERMIS MODEL TO TOPICAL DRUG DEVELOPMENT

    Prof. Adrian Davis

    Prof. Adrian Davis, Director of New Product Research, Dermatologicals, GlaxoSmithKline Consumer Healthcare

  • Toxicological approach to development of a topical drug formulation
  • Observation of irritancy in in vivo tests
  • Modelling of in vivo response with in vitro method
  • Detection of irritant ingredients using in vitro model
  • Use of in vitro model in follow-up formulation development
  • 16:00 Chairman's Closing Remarks followed by Afternoon Tea.
    Close of Conference

    +

    The Hatton, at etc. venues

    51/53 Hatton Garden
    London EC1N 8HN
    United Kingdom

    The Hatton, at etc. venues

    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.