1. www.admet-event.com
Register online or fax your registration to +44 (0) 870 9090 712 or call +44 (0) 870 9090 711
Molecular properties and intermolecular interactions in virtual ADMET assessment
Led by Mire Zloh, Head of Medicinal and Analytical Chemistry Research Group, University of Hertfordshire
and Teresa Barata, Research Associate, UCL School of Pharmacy
8:30 - 12:30
PLUS AN INTERACTIVE HALF-DAY POST-CONFERENCE WORKSHOP | WEDNESDAY 15TH JUNE 2016, HOLIDAY INN KENSINGTON FORUM, LONDON, UK
@SMIPHARM
#smiADMET
CHAIRMAN FOR 2016:
ā¢ Thierry Lave, Head DMPK Discovery and
Development Project Leaders (CNS/CVM), Roche
KEYNOTE SPEAKERS INCLUDE:
ā¢ Karelle Menochet, Principal Scientist DMPK,
UCB Pharma
ā¢ Laurent Salphati, Senior Scientist, Genentech
ā¢ Carl Petersson, DMPK NCE Senior Designer, Merck
Serono
ā¢ Kunal Taskar, Senior Investigator, DMPK, GSK
ā¢ Lena Gustavsson, Head of Sections Drug-Drug
Interactions, Lundbeck
ā¢ Friedemann Schmidt, R&D DSAR Preclinical Safety,
Sanofi-Aventis
ā¢ Pau Aceves, Senior Clinical Pharmacologist, Takeda
HIGHLIGHTS FOR 2016:
ā¢ Discover application of PBPK to drug development
in rare diseases
ā¢ Review the role of drug transporters in drug delivery
to CNS diseases
ā¢ Learn about better models for understanding,
predicting and avoiding drug induced liver injury
ā¢ Discuss in silico approaches to evidence-based
mechanistic modelling
ā¢ Analyse early dose predictions ā a valuable tool in
risk assessment and optimisation of small molecules
13TH - 14TH
JUNE
2016HOLIDAY INN KENSINGTON FORUM, LONDON, UK
SMi Presents the 11th Annual Conference and Exhibition on
ADMETLinking ADME and PK with safety to an overall
assessment of risk/benefit
BOOK BY 29TH FEBRUARY TO SAVE Ā£400 ā¢ BOOK BY 31ST MARCH TO SAVE Ā£300 ā¢ BOOK BY 29TH APRIL TO SAVE Ā£200
Sponsored by
2. ADMET
Day One 13th June 2016 www.admet-event.com
8.30 Registration & Coffee
9.00 Chairmanās Opening Remarks
Thierry Lave, Head DMPK Discovery and Development Project
Leaders (CNS/CVM), Roche
ADME/PK: OPTIMISATION FOR DRUG DESIGN AND DISCOVERY
OPENING ADDRESS
9.10 Application of PBPK to drug development in rare diseases
ā¢ Clinical drug development programmes in rare diseases are
starting to be more common in the pharmaceutical industry
ā¢ These patient populations tend to be difficult to recruit and
are usually complex to deal with in early clinical development
studies due to co-morbidities and concomitantly administered
medications
ā¢ An example of how PBPK modeling can facilitate the conduct
of clinical trials in these populations by the ability to simulate
and anticipate PK variability will be presented
Pau Aceves, Senior Clinical Pharmacologist, Takeda
9.50 Cell-based models for drug transport, metabolism studies and
services
ā¢ Learn about the performance, features and benefits of
CorningĀ® TransportoCellsā¢, a new cell-based model to study
SLC transporters for predicting drug clearance, drug-drug
interactions, and the impact of genetic polymorphism on drug
disposition
ā¢ Introduce a novel human hepatocyte-like model,
CorningĀ® HepatoCells, and its applications of
predicting drug-drug interaction and hepatic
toxicity in 3D culture
Na Li, Senior Staff Scientist, Corning
10.30 Morning Coffee
11.00 Transporter interaction in the ADME pathway
ā¢ Uses and limitations of in vitro transporter assays in the
predictions of drug disposition and DDIs
ā¢ Humanised models available and characterisations
ā¢ Case studies: Translation to human and limitations of humanised
models for drug disposition and DDI predictions
Laurent Salphati, Senior Scientist, Genentech
11.40 In silico approaches to evidence-based mechanistic modelling
ā¢ Why do we need to know mechanisms?
ā¢ Can QSAR help to elucidate mechanisms?
ā¢ Use of mechanistically-based QSARs in toxicology
ā¢ Use of adverse outcome pathways
John C. Dearden, Emeritus Professor of Medicinal Chemistry,
Liverpool John Moores University
12.20 Networking Lunch
TRANSLATING NON-CLINICAL ADME DATA TO THE CLINIC
1.30 Better models for understanding, predicting and avoiding drug
induced liver injury
ā¢ Unexpected hepatotoxicity remains a significant cause of drug
failure and withdrawal
ā¢ The prevention of DILI requires better in vitro, in vivo and in silico
methods of prediction
ā¢ Improved understanding of the mechanisms of DILI is leading
the development of new model systems
Ian Wilson, Professor of Toxicology, Imperial College London
2.10 Early dose predictions - a valuable tool in risk assessment and
optimisation of small molecules
ā¢ Value of integrating translational PKPD in early development
ā¢ Understand the requirements for translational PKPD
ā¢ Illustrate the use of exposure-response
Carl Petersson, DMPK NCE Senior Designer, Merck Serono
2.50 Afternoon Tea
3.20 Integrated modelling of metabolism and PBPK
ā¢ Basic introduction to PBPK ā the benefits of a reductionist
approach
ā¢ Integration of mechanistic models ā increased information at
key biological hubs
ā¢ Integration of regulation ā making models adapt to drug
exposure
ā¢ Integration of whole-cell metabolism ā understanding the wider
implications of drug exposure
Nick Plant, Reader in Systems Biology, University of Surrey
4.00 Cross-platform/cross-species application of physiologically based
pharmacokinetics for biologics
ā¢ Biologics are taking up an increasing share of therapeutic
portfolio
ā¢ Early assessment of target druggability is expected to improve
resource allocation and reduce attrition
ā¢ The PBPK model developed allows to estimate soluble protein
tissue penetration and elimination kinetics as a function of size
and FcRn-binding affinity
Armin Sepp, Senior Scientific Investigator, GSK
4.40 Chairās Closing Remarks and Close of Day One
Register online at www.admet-event.com
Want to know how you can get involved? Interested in promoting your services to this market?
Contact Zoe Gale SMi Marketing on
+44 (0)20 7827 6132 or email: zgale@smi-online.co.uk
Corning Incorporated offers integrated solutions to support life sciences and accelerate drug discovery and
development with reagents and contract research services for in vitro analysis of xenobiotic metabolism and
drug transport. Products include CorningĀ® Gentestā¢ Hepatocytes, tissue fractions, various transporter models,
Corning Supersomesā¢ Enzymes, and Corning Gentest Contract Research Services. www.corning.com
Sekisui XenoTech is a global contract research organization with unparalleled experience and proven expertise
from discovery through clinical support, providing cell and tissue-based products, screening, radiolabeling, API
manufacturing, in vitro ADMET and pharmacology, in vivo ADMET and QWBA, metabolite ID and production,
bioanalytical services and consulting. www.xenotech.com
Sponsored by
3. ADMET
www.admet-event.com Day Two 14th June 2016
8.30 Registration & Coffee
9.00 Chairmanās Opening Remarks
Thierry Lave, Head DMPK Discovery and Development Project
Leaders (CNS/CVM), Roche
LINKING PK WITH SAFETY
OPENING ADDRESS
9.10 Computational drug hazard assessment: From ADMET prediction
towards organ toxicity
ā¢ Current preclinical in silico toxicology
ā¢ ADMET modelling, leading to quantitative structure-toxicity
relationships
ā¢ Analysing and predicting pre-/clinical toxicity based on target
interaction profiles
Friedemann Schmidt, R&D DSAR Preclinical Safety, Sanofi-Aventis
9.50 Mapping dynamic pathways towards multiscale drug therapy
ā¢ Human metabolic map
ā¢ Metabolic diseases
ā¢ Individualized medicine
ā¢ Differential network-based drug design
Hans V. Westerhoff, Synthetic Systems Biology, University of
Amsterdam
10.30 Morning Coffee
11.00 Providing an ADMET safety to logical transition
ā¢ Identifying which transporters to screen and monitor their
interactions with drugs and new molecular entities
ā¢ Screening site specific interactions and protein fold interactions
ā¢ High throughput methods for membrane in and efflux transport
systems
Karelle Menochet, Principal Scientist DMPK, UCB Pharma
11.40 Translational modelling in support to efficacy and safety
assessments
ā¢ Critical consideration of the value of model-based approaches
for supporting safety assessments during drug discovery and
development
ā¢ Value of integrating translational PKPD in early development
ā¢ Understand the requirements for translational PKPD
Thierry Lave, Head DMPK Discovery and Development Project
Leaders (CNS/CVM), Roche
12.20 Networking Lunch
1.30 In silico predictions of drug-drug interactions: Limitations and
perspectives
ā¢ Introduction to different types of prediction models
ā¢ Competitive binding, protein-drug interactions versus small
molecule interactions
ā¢ Current progress of the in silico prediction of drug safety
Mire Zloh, Head of Medicinal and Analytical Chemistry Research
Group, University of Hertfordshire
IMPROVING DRUG-DRUG INTERACTION
2.10 Contribution of metabolites to DDI
ā¢ Regulatory guidelines and risk based approach to evaluate
metabolite related DDI
ā¢ Inhibition/induction of drug metabolising enzymes and
transporters by metabolites including time dependent effects on
pharmacokinetics
ā¢ Impact of transporters on metabolite disposition and local
concentration
Lena Gustavsson, Head of Sections Drug-Drug Interactions,
Lundbeck
2.50 Afternoon Tea
3.20 Estimating human plasma concentrations using in silico
ADMET models
ā¢ Building in silico models for human PK parameters
ā¢ Profiling the estimated human plasma concentrations of
marketed oral drugs
ā¢ Influencing drug design: A new definition for oral drug-likeness
Mark Wenlok, Principal Scientist, InSilicoLynx Limited
4.00 Role of drug transporters in drug delivery to CNS diseases
ā¢ Role of novel efflux transporters in anticancer drug delivery
across the blood-brain barrier (BBB)
ā¢ Role of uptake transporters at the BBB
ā¢ DDI risk with drug transporters modulation at the BBB
Kunal Taskar, Senior Investigator, DMPK, GSK
4.40 Chairmanās Closing Remarks and Close of Day Two
Alternatively fax your registration to +44 (0)870 9090 712 or call +44 (0)870 9090 711
SUPPORTED BY
WHO SHOULD ATTEND THIS CONFERENCE: You should attend this event if you are a Chief Executive, Vice President, Head, Director, Chief Scientist,
Principal Scientist, Project Leader, Manager from within the Pharmaceutical or Healthcare industry within responsibilities in the following areas:
ā¢ ADME
ā¢ Toxicology
ā¢ DMPK
ā¢ PBPK
ā¢ PD/PK
ā¢ Computational Modelling and
Simulation
ā¢ Pathology
ā¢ Computational Chemistry
ā¢ Computational Toxicology
ā¢ Pre-clinical Safety
ā¢ Clinical Pharmacology
ā¢ Genotoxicity
ā¢ Drug Metabolism
ā¢ Regulatory Pharmaco-Toxicology
4. HALF DAY POST-CONFERENCE WORKSHOP
Wednesday 15th June 2016
Holiday Inn Kensington Forum, London, UK
8.30am ā 12.30pm
Molecular properties and
intermolecular interactions in
virtual ADMET assessment
Leaders:
Mire Zloh, Head of Medicinal and Analytical Chemistry
Research Group, University of Hertfordshire
Teresa Barata, Research Associate, UCL School of Pharmacy
Workshop overview:
The workshop will provide an overview of principles behind
in silico methods used currently in prediction of ADMET
properties. The alternative approaches to prediction of
toxicity of drug candidates will be demonstrated and
discussed. The practical issues related to the use of
predictive methods will be demonstrated by the use of
opensource software and relevant examples. Delegates
are advised to bring their own laptops.
Key Benefits of Attending:
ā¢ Introduction into a range of in silico methods to predict
ADMET properties
ā¢ Insight into alternative approaches to toxicity
predictions
ā¢ Exploring the application of open source software in
industrial setting
ā¢ Hands on experience
Agenda
8.30 Registration & Coffee
9.00 Opening Remarks
9.15 Chemoinformatics and ADMET
10.15 Prediction of off-target interactions
10.45 Coffee Break
11.15 Interactive session
12.15 Closing Remarks
12.30 End of Workshop
About the Workshop Leaders:
Professor Mire Zloh has joined Department of Pharmacy at
the University of Hertfordshire in 2013. He was awarded a BSc
and an MSc in Physical Chemistry by University of Belgrade
and was awarded a PhD in Chemistry by University of London
in 1998. Previously he was a Senior Lecturer and Director of the
Centre for Structural Chemistry at the UCL School of Pharmacy.
His research interests include computer aided drug design,
structural chemistry and chemometrics. Currently, he is working
on rational design of pharmaceutical formulations, in silico
prediction of off-target activities, modeling of PEGylated proteins
and dendrimers, and developing strategies to utilize small
molecule-small molecule interactions for enhancing activities
of therapeutics.
Dr Teresa Barata is a Research Associate at the EPSRC Centre
for Innovative Manufacturing in Emergent Macromolecular
Therapies, UCL, where she focus on computational and
experimental formulation of therapeutic proteins. Teresa has
extensiveexperienceiniterativemodellingwherecomputational
andexperimentworkareappliedinsharedexperimentaldesign.
Her main expertise is in molecular modeling techniques and
tool development for the design and study of novel polymers
including hyperbranched molecules and their interaction with
protein structures. She has also worked in formulation of poor
soluble drugs at Polytherics Ltd.
About the Organisations:
The University of Hertfordshire (UH) istheUKāsleadingbusiness-
facing university and an exemplar in the sector. UH was named
Entrepreneurial University of the Year in 2010 in the Times Higher
Educational. The Department of Pharmacy, Pharmacology
and Postgraduate Medicine has a thriving research community
focused around drug discovery and development, topical drug
delivery and toxicology, pharmacology and patient safety.
72% of our research was recently classed as internationally or
nationally excellent.
The UCL School of Pharmacy is the pharmacy school of
University College London (UCL). The School was founded by
the Royal Pharmaceutical Society of Great Britain in 1842 as
the College of the Pharmaceutical Society. It was renamed
The School of Pharmacy in 1949 when it became independent
of the Pharmaceutical Society and was incorporated into the
University of London as a constituent college. The School
was granted a royal charter in 1952 and merged with UCL in
January 2012.
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Conference: 13th ā 14th June 2016, Holiday Inn Kensington Forum, London, UK Workshop: 15th June 2016, London
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