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SMi's ADMET conference is now in its 5th year - click below to view our 2010 event.

 


 

2009 Past Event Details:

The discovery and development of drugs is high in both cost and risk.  On average it takes between 12 -15 years to bring a drug to market following its conception and can cost in the region of $1.8 billion.  Discovering toxicity issues late in this process can therefore be financially devastating for a company.

Assessment of toxicity early on can reduce this risk, meaning the focus of Pharma has fallen on mass ADMET consideration.  Identifying ADMET issues early can give Pharma the opportunity to increase the likelihood of success, reduce associated costs and minimise the time to market for a drug candidate.

SMi’s 4th annual ADMET conference aims to bring together experts in the fields of ADME and toxicology to discuss the methods that can be employed in this quest.  With a varied programme, including in vitro ADME, computational methods relating to ADME and in vitro toxicity studies. 

This conference aims to address a number of issues including:

  • In vitro/in vivo ADME
  • In silico ADME prediction
  • Toxicity prediction methods
  • Developing working relationships between medicinal & computational chemists

The key benefits of attending are: 

  • Hear specific examples of leading pharma companies’ ADMET techniques
  • Develop an understanding of how to save money and valuable time in your pipeline
  • Gain a valuable insight in to the tools that can be employed to reduce the time to market for your drug
  • Broaden your background in cost-effective approaches to drug design and development

Delegates at last years event included:

  • Abbott Laboratories
  • Abcellute
  • ABL BV
  • Apredica
  • AstraZeneca
  • Boehringer Ingelheim GmbH & Co. KG
  • Boehringer Ingelheim Pharma
  • Corning Inc
  • Cyprotex Discovery Ltd
  • Debiopharm
  • Eli Lilly and Company
  • Epix Pharmaceuticals Ltd
  • Frost & Sullivan
  • G E Healthcare Ltd
  • Italfarmaco Spa
  • Johnson & Johnson
  • KBioscience
  • Merck KGaA
  • Merck Serono
  • Merz Pharmaceuticals GmbH
  • Neuropharma, S.A.
  • Orion Corporation
  • pharma algorithms
  • Rottapharm SpA
  • Sanofi-Aventis
  • Simulations Plus, Inc.
  • Solvay Pharmaceuticals GmbH
  • Sovicell Gmbh
  • SYMYX Technologies UK
  • Takeda Pharmaceuticals Europe Ltd
  • Technology Networks
  • Thermo Fisher scientific
  • Tibotec
  • UCB Pharma SA

Conference programme

8:30 Registration & Coffee

9:00 Chairman's Opening Remarks

Andreas  Göller

Andreas Göller , Senior Scientist, Bayer HealthCare AG

9:10 DRUG DISCOVERY SUPPORT BY EFFECIENT IN-HOUSE ADMET MODELS: OPPORTUNITIES, LIMITATIONS & PERSPECTIVES

Andreas  Göller

Andreas Göller , Senior Scientist, Bayer HealthCare AG

  • Interpretable, phenomenolocal and black-box models
  • Quality management: understanding the model applicability domain
  • Dependance on the experimental ADME data
  • How to communicate to the project team
  • 9:50 TRANSIL Brain Absorption:

    Hinnerk Boriss

    Hinnerk Boriss, CEO, Sovicell Gmbh

    10:30 Morning Coffee

    11:00 TRANSFORMING DRUG DISCOVERY AND DEVELOPMENT

    Alan Wilson

    Alan Wilson, Senior Director & Head, Lexicon Genetics Inc

  • Overview of current status of ADMET in drug discovery and development
  • ADMET screening strategies and applications
  • Early development and application of PK/PD modelling
  • Integration and translation of ADMET and PK/PD data
  • 11:40 hERG INHIBITION: FORECASTS A GO GO

    Fabrizio  Giordanetto

    Fabrizio Giordanetto, Project Leader, AstraZeneca

  • hERG and safety concerns
  • Fight hERG inhibition: the MedChem arsenal
  • Defeat hERG inhibition: the CompChem arsenal
  • Letters from the hERG front: project applications and practicalities
  • 12:20 Networking Lunch

    13:50 LIVER FIBROSIS IN HUMAN AND RAT LIVER SLICES

    Peter Olinga

    Peter Olinga, Lecturer, University of Groningen and Senior Scientist Metabolism and Pharmacokinetics, Solvay Pharmaceuticals B.V.

  • Method to induce and track (early) fibrogenesis in precision-cut liver slices
  • Applications to both human and rat liver tissue
  • Enables sudy of activation of fibrosis within their physiologic milieu
  • Unique opportunity to investigate species-specific mechanisms underlying (early) fibrogenesis
  • 14:30 IN VITRO - IN VIVO EXTRAPOLATION STRATEGIES AT ASTRAZENECA R&D CHARNWOOD

    Rebecca Denton

    Rebecca Denton, Senior Research Scientist, AstraZeneca

  • In vitro-in vivo extrapolation tools and strategies
  • Prediction of human PK
  • Prediction of drug-drug interactions
  • 15:10 Afternoon Tea

    15:40 TOXICOLOGICAL RELATIONSHIPS BETWEEN PROTEINS OBTAINED FROM A MOLECULAR SPAM FILTER

    John Mitchell

    John Mitchell, Lecturer, Unilever Centre for Molecular Science, University of Cambridge

  • Protein target prediction allows us to link (predictively) 150000 organic molecules to 233 specific protein targets (each of which we treat as if it were a single protein, although some may actually be sets of biologically and pharmacologically related proteins)
  • Toxicological databases link (experimentally) these 150000 molecules to 23 toxicity classes
  • Combining these two sources of data matches the 233 proteins with the 23 toxicity classes
  • For each protein target, we have a profile of association with the 23 toxicity classes
  • Proteins with similar profiles are clustered together
  • We demonstrate that these clusters of proteins can be physiologically meaningful
  •  

    16:20 IN SILICO PREDICTION OF AQUEOUS SOLUBILITY: HOW GOOD IS IT?

    John Dearden

    John Dearden, Emeritus Professor, Liverpool John Moores University

  • Why should we predict aqueous solubilty?
  • Which solubility is required?
  • QSPR prediction of aqueous solubility
  • Expert systems for aqueous solubility prediction
  • Consensus modelling
  • pKa prediction
  • 17:00 Chairman’s Closing Remarks and Close of Day One

    8:30 Registration & Coffee

    9:00 Chairman's Opening Remarks

    John Dearden

    John Dearden, Emeritus Professor, Liverpool John Moores University

    9:10 PHARMACOPHORE MODELLING TO PREDICT PGP SUBSTRATE PROPERTIES

    Antonius ter Laak

    Antonius ter Laak, Research Scientist, Bayer Schering Pharma

  • Bayesian classification of PgP substrates
  • PgP substrate pharmacophore modelling
  • Linear discriminant analysis using PgP substrate pharmacophores
  • 9:50 PBPK MODELLING

    Simon  Thomas

    Simon Thomas , Head of Scientific Computing, Cyprotex Discovery Ltd

  • Physiologically based pharmacokinetic (PBPK) modelling provides a powerful means of integrating ADME and physicochemical data to predict in vivo pharmacokinetics in humans and pre-clinical animals
  • Predictions of PK from ADME data can enhance the ability to select compounds that are most likely to have appropriate PK in vivo
  • The determination of physicochemical and ADME properties during early drug discovery ('early ADME data') enables PK prediction to be performed at any stage from lead identification onwards
  • Results will be presented for the prediction of human, rat and mouse PK by a novel PBPK model using early ADME data.  Potential applications in drug discovery will be described
  • Assessing models residing on a central server, via the World Wide Web, enables cost-effective and instant access to the latest results of PBPK modelling research and development
  • 10:30 Morning Coffee

    11:00 IN SILICO ADMET COMES OF AGE

    Michael Pelekis

    Michael Pelekis, Director of Business Development, Simulations Plus Inc

  • Structure-property prediction reaches new heights: more properties, more accurately
  • Multidimensional optimization for medicinal chemists
  • Simulation of animal studies provides valuable insight
  • Predicting gut transporter effects
  • Solubility, dissolution and IVIVC
  • Predicting first-in-human dose with minimal data
  • 11:40 HIGH THROUGHPUT SCREENING FOR IN VITRO TOXICITY TESTING FOR GENOTOXICITY AND CARCINOGENICITY

    Willem Schoonen

    Willem Schoonen, Senior Research Scientist, NV Organon Rm Kp 1002

  • Genotoxic analysis will be shown with respect to a recommended ECVAM list with 62 compounds and an additional set of 190 compounds
  • The advantage of high throughput screening with luminescent reporter assays for genotoxcity will be shown
  • Vitotox and Radarscreen assays showed a very high sensitivity, specificity and concordance
  • Two cellular liver HepG2 assays using very specific promotors for the identification of chromosomal strand breaks were validated
  • Two cellular liver HepG2 assays using very specific responsive elements for the identification of carcinogenicity and oxidative stress were validated
  • A segregation in the induction of genotoxicity was shown with respect to the human and bacterial/yeast setting
  • 12:20 Networking Lunch

    13:50 THE ROLE OF ABC MULTIDRUG TRANSPORTERS IN ADMET

    Balazs Sarkadi

    Balazs Sarkadi, Membrane Research Group, Hungarian Academy of Sciences

  • Key human multidrug resistance ABC (MDR-ABC) transporters
  • The role of MDR-ABC transporters in xenobiotic elimination
  • MDR-ABC transporters in tissue pharmacological barriers
  • MDR-ABC transporters in normal and cancer stem cells
  • Interactions of MDR-ABC transporters with targeted anticancer agents
  • 14:30 ADME PROPERTIES OF PEPTIDE DRUGS

    Mette Guldbrandt

    Mette Guldbrandt, Section Head, Novo Nordisk

  • ADME assessment
  • Metabolism/Absorption/Clearance - examples
  • Analytical methods
  • 15:10 Afternoon Tea

    15:40 CNS TARGETED DRUGS

    Gary Manchee

    Gary Manchee, Head, Business Development, Pharmidex

  • ADME properties “to die for”
  • Blood brain barrier – a barrier to success?
  • “Delivering” the promise
  • PK and PD – translation or confusion?
  • 16:10 APPLICATION OF ADMET RULES TO COMPOUND DESIGN

    Mike Waring

    Mike Waring, Team Leader, Medicinal Chemistry, Astrazeneca

  • The use of descriptors compared with more complex QSAR models
  • The role of logD 7.4 as the key parameter for ADMET optimisation
  • The lipophilicity window for optimum compound quality
  • Application of these principles to compound design
  • 16:50 Chairman’s Closing Remarks and Close of Conference

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