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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
ADMET
Day One 13th June 2016 	 www.admet-event.com
8.30	 Registration & Coffee
9.00	 Chairmanā€™s 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	 Chairā€™s 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
ADMET
www.admet-event.com	 Day Two 14th June 2016
8.30	 Registration & Coffee
9.00	 Chairmanā€™s 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 	 Chairmanā€™s 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
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) istheUKā€™sleadingbusiness-
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.
SMi PHARMACEUTICAL
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email: amalick@smi-online.co.uk
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ADMET
Conference: 13th ā€“ 14th June 2016, Holiday Inn Kensington Forum, London, UK Workshop: 15th June 2016, London
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SMi Group's 11th annual ADMET 2016 conference

  • 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 Chairmanā€™s 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 Chairā€™s 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 Chairmanā€™s 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 Chairmanā€™s 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) istheUKā€™sleadingbusiness- 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.
  • 5. SMi PHARMACEUTICAL EVENT PLANNER 2016 FEBRUARY Parallel Trade 8th - 9th February Holiday Inn Kensington Forum, London, UK Advances and Progress in Drug Design 15th - 16th February Holiday Inn Kensington Forum, London, UK RNAi Therapeutics 15th - 16th February Holiday Inn Kensington Forum, London, UK MARCH Superbugs & Superdrugs - A Focus on Antibacterials 16th - 17th March Holiday Inn Kensington Forum, London, UK Paediatric Clinical Trials 16th - 17th March Holiday Inn Kensington Forum, London, UK APRIL Asthma & COPD 11th - 12th April Holiday Inn Kensington Forum, London, UK Controlled Release 18th - 19th April Holiday Inn Kensington Forum, London, UK Adaptive Designs 18th - 19th April Holiday Inn Kensington Forum, London, UK Pre-Filled Syringes East Coast 25th - 26th April Renaissance Woodbridge, New Jersey, USA Lyophilization USA 27th - 28th April Renaissance Woodbridge, New Jersey, USA MAY Alzheimerā€™s 10th - 11th May Holiday Inn Kensington Forum, London, UK Clinical Trial Logistics 18th - 19th May Holiday Inn Kensington Forum, London, UK Pain Therapeutics 23rd - 24th May Holiday Inn Kensington Forum, London, UK ADC Summit 2016 23rd - 24th May Holiday Inn Kensington Forum, London, UK JUNE Pre-Filled Syringes West Coast 6th - 7th June Hyatt Regency Mission Bay, San Diego, USA ADMET 13th - 14th June Holiday Inn Kensington Forum, London, UK Immunogenicity 13th - 14th June Holiday Inn Kensington Forum, London, UK BioBanking 20th - 21st June Holiday Inn Kensington Forum, London, UK JULY Lyophilisation Europe 4th - 5th July Holiday Inn Kensington Forum, London, UK Allergies 6th - 7th July Holiday Inn Kensington Forum, London, UK Peptides 6th - 7th July Holiday Inn Kensington Forum, London, UK SPONSORSHIP AND EXHIBITION OPPORTUNITIES SMi offer sponsorship, exhibition, advertising and branding packages, uniquely tailored to complement your companyā€™s marketing strategy. Prime networking opportunities exist to entertain, enhance and expand your client base within the context of an independent discussion specific to your industry. Should you wish to join the increasing number of companies benefiting from sponsoring our conferences please call: Alia Malick on +44 (0) 20 7827 6168 or email: amalick@smi-online.co.uk
  • 6. Please complete fully and clearly in capital letters. Please photocopy for additional delegates. Title: Forename: Surname: Job Title: Department/Division: Company/Organisation: Email: Company VAT Number: Address: Town/City: Post/Zip Code: Country: Direct Tel: Direct Fax: Mobile: Switchboard: Signature: Date: I agree to be bound by SMiā€™s Terms and Conditions of Booking. ACCOUNTSā€ˆDEPT Title: Forename: Surname: Email: Address (if different from above): Town/City: Post/Zip Code: Country: Direct Tel: Direct Fax: ADMET Conference: 13th ā€“ 14th June 2016, Holiday Inn Kensington Forum, London, UK Workshop: 15th June 2016, London 4 WAYS TO REGISTER FAX your booking form to +44 (0) 870 9090 712 PHONE on +44 (0) 870 9090 711 ONLINE at www.admet-event.com POST your booking form to: Events Team, SMi Group Ltd, 2nd Floor South, Harling House, 47-51 Great Suffolk Street, London, SE1 0BS If you have any further queries please call the Events Team on tel +44 (0) 870 9090 711 or you can email them at events@smi-online.co.uk Payment: If payment is not made at the time of booking, then an invoice will be issued and must be paid immediately and prior to the start of the event. If payment has not been received then credit card details will be requested and payment taken before entry to the event. Bookings within 7 days of event require payment on booking. Access to the Document Portal will not be given until payment has been received. Substitutions/Name Changes: If you are unable to attend you may nominate, in writing, another delegate to take your place at any time prior to the start of the event. Two or more delegates may not ā€˜shareā€™ a place at an event. Please make separate bookings for each delegate. Cancellation: If you wish to cancel your attendance at an event and you are unable to send a substitute, then we will refund/credit 50% of the due fee less a Ā£50 administration charge, providing that cancellation is made in writing and received at least 28 days prior to the start of the event. Regretfully cancellation after this time cannot be accepted. We will however provide the conferences documentation via the Document Portal to any delegate who has paid but is unable to attend for any reason. Due to the interactive nature of the Briefings we are not normally able to provide documentation in these circumstances. We cannot accept cancellations of orders placed for Documentation or the Document Portal as these are reproduced specifically to order. If we have to cancel the event for any reason, then we will make a full refund immediately, but disclaim any further liability. Alterations: It may become necessary for us to make alterations to the content, speakers, timing, venue or date of the event compared to the advertised programme. Data Protection: The SMi Group gathers personal data in accordance with the UK Data Protection Act 1998 and we may use this to contact you by telephone, fax, post or email to tell you about other products and services. Unless you tick here ā–” we may also share your data with third parties offering complementary products or services. If you have any queries or want to update any of the data that we hold then please contact our Database Manager databasemanager@smi-online. co.uk or visit our website www.smi-online.co.uk/updates quoting the URN as detailed above your address on the attached letter. Unique Reference Number Our Reference P-175 Terms and Conditions of Booking DELEGATE DETAILS Payment must be made to SMi Group Ltd, and received before the event, by one of the following methods quoting reference P-175 and the delegateā€™s name. Bookings made within 7 days of the event require payment on booking, methods of payment are below. Please indicate method of payment: ā–” UK BACS Sort Code 300009, Account 00936418 ā–” Wire Transfer Lloyds TSB Bank plc, 39 Threadneedle Street, London, EC2R 8AU Swift (BIC): LOYDGB21013, Account 00936418 IBAN GB48 LOYD 3000 0900 9364 18 ā–” Cheque We can only accept Sterling cheques drawn on a UK bank. ā–” Credit Card ā–” Visa ā–” MasterCard ā–” American Express All credit card payments will be subject to standard credit card charges. Card No: ā–”ā–”ā–”ā–” ā–”ā–”ā–”ā–” ā–”ā–”ā–”ā–” ā–”ā–”ā–”ā–” Valid From ā–”ā–”/ā–”ā–” Expiry Date ā–”ā–”/ā–”ā–” CVV Number ā–”ā–”ā–”ā–” 3 digit security on reverse of card, 4 digits for AMEX card Cardholderā€™s Name: Signature: Date: I agree to be bound by SMiā€™s Terms and Conditions of Booking. Card Billing Address (If different from above): DOCUMENTATION I cannot attend but would like to Purchase access to the following Document Portal/ Paper Copy documentation. Price Total ā–” Access to the conference documentation on the Document Portal Ā£499.00 + VAT Ā£598.80 ā–” The Conference Presentations ā€“ paper copy Ā£499.00 - Ā£499.00 (or only Ā£300 if ordered with the Document Portal) PAYMENT VAT VAT at 20% is charged on the attendance fees for all delegates. VAT is also charged on Document portal and literature distribution for all UK customers and for those EU Customers not supplying a registration number for their own country here CONFERENCE PRICES GROUPā€ˆDISCOUNTS AVAILABLE I would like to attend: (Please tick as appropriate) Fee TOTAL ā–” Conference Workshop Ā£2098.00 + VAT Ā£2517.60 ā–” Conference only Ā£1499.00 + VAT Ā£1798.80 ā–” Workshop only Ā£599.00 + VAT Ā£718.80 PROMOTIONAL LITERATURE DISTRIBUTION ā–” Distribution of your companyā€™s promotional literature to all conference attendees Ā£999.00 + VAT Ā£1198.80 The conference fee includes refreshments, lunch, conference papers, and access to the Document Portal. Presentations that are available for download will be subject to distribution rights by speakers. Please note that some presentations may not be available for download. Access information for the document portal will be sent to the e-mail address provided during registration. Details are sent within 24 hours post conference. VENUE Holiday Inn Kensington Forum, 97 Cromwell Road, London SW7 4DN ā–” Please contact me to book my hotel Alternatively call us on +44 (0) 870 9090 711, email: events@smi-online.co.uk or fax +44 (0) 870 9090 712 ā–” Book by 29th February 2016 and save Ā£400 ā–” Book by 31st March 2016 and save Ā£300 ā–” Book by 29th April 2016 and save Ā£200 EARLY BIRD DISCOUNT