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Advances and Progress in Drug Design
17 February - 18 February 2014
Advances and Progress in Drug Design

SAE Media Group are proud to present the 13th annual Advances and Progress in Drug Design conference, convening in Central London on Monday 17 and Tuesday 18 February 2014.

This exciting event will focus on new approaches and the future of drug design. It will offer attendees the chance to hear from leading industry experts on lead optimisation strategies, SBDD and FBDD. 

There are lots of methods in drug design ranging from x-ray crystallography to NMR and computational chemistry techniques. Our drug design event will showcase innovative methodologies in drug design, strategies from theory into practice and informative practical guidance on drug design and discovery challenges. High profile scientists from pharma companies and biotech organisations will be speaking about their work in the field and discussing the latest developments in fragment based drug design, structure based drug design and the role of water in addition to lead optimisation strategies.
  

 Testimonials from 2013

‘High quality event!’ Eisai Ltd
‘Well selected talks, stimulating atmosphere’ Sanofi
‘Very good interactive meeting, overall excellent’ Pfizer
‘This was a very good meeting – right number of people’ AstraZeneca
 

FEATURED SPEAKERS

Amaury Ernesto Fernandez-Montalvan

Amaury Ernesto Fernandez-Montalvan

Lab Head, High Throughput Screening, Bayer HealthCare Pharmaceuticals
John Mathias

John Mathias

Head of Medicinal Chemistry - Inflammation & Remodelling, Pfizer
Tom Heightman

Tom Heightman

Senior Director, Astex Pharmaceuticals

Amaury Ernesto Fernandez-Montalvan

Lab Head, High Throughput Screening, Bayer HealthCare Pharmaceuticals
Amaury Ernesto Fernandez-Montalvan

Andrea Bortolato

Senior Computational Chemistry, Heptares Therapeutics
Andrea Bortolato

Andreas Kuglstatter

Senior Prinicipal Scientist, Roche
Andreas Kuglstatter

Gyorgy Miklos Keseru

Director General, Hungarian Academy Of Sciences
Gyorgy Miklos Keseru

Harald Mauser

Senior Scientist, Roche
Harald Mauser

Huafeng Xu

Computational Chemist, D. E. Shaw Research
Huafeng Xu

Hugo Gutierrez de Teran

Researcher, Cell and Mol Biology, Uppsala University
Hugo  Gutierrez de Teran

John Mathias

Head of Medicinal Chemistry - Inflammation & Remodelling, Pfizer
John Mathias

Karl-Heinz Baringhaus

Site Director, R&D Frankfurt, Sanofi-Aventis
Karl-Heinz Baringhaus

Neil Press

Director, Novartis
Neil Press

Nils Hansen

CEO, Vipergen
Nils Hansen

Oscar van Linden

Head of Medicinal Chemistry, ZoBio BV
Oscar van Linden

Paul Labute

CEO, Chemical Computing Group
Paul  Labute

Paul Brennan

Group Head/PI, Nuffield Department of Medicine
Paul Brennan

Rob Leurs

Professor of Medicinal Chemistry, VU University Amsterdam
Rob Leurs

Sudharsan Sridharan

Scientist, MedImmune Inc.
Sudharsan Sridharan

Tom Heightman

Senior Director, Astex Pharmaceuticals
Tom Heightman

If you are interested in speaking at this conference, please get in touch with the producer at smiproduction@smi-online.co.uk
 

If you are interested in sponsoring this conference, please get in touch with our sponsorship team at sponsorshipdept@smi-online.co.uk

 

Conference agenda

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8:30

Registration and coffee

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9:00

Welcome and introduction

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9:10

Overview and perspective

  • Current technologies in fragment-based lead discovery
  • Discussing lead discovery for more complex classes of therapeutic targets
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    9:45

    Case studies

  • Success stories - highlighting the importance of structure-based technologies in drug design
  • Problems encountered: how to overcome them?
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    10:30

    Morning coffee

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    11:00

    Applications and issues

  • Techniques to improve drug design strategies
  • Characterising receptor-ligand interactions
  • Preparing for the future of drug design
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    11:50

    Discussion session

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    12:30

    Conclusions and close of workshop

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    13:00

    Registration and coffee

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    13:30

    Welcome and introduction to The Research Network

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    13:40

    Overview and perspective

  • Current chemologic approaches
  • Discussing challenges and opportunities
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    14:10

    Case studies

  • Case studies and discussion - modified antibodies, proteins and peptides
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    15:15

    Coffee

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    15:30

    Case studies

  • Case studies and discussion: modified nucleotides; modified polysaccharides and sugars
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    16:30

    Assessing chemologic expertise and services

  • Overview of the Chemologic service landscape
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    17:30

    Conclusion and close of workshop

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    8:30

    Registration and coffee

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    9:00

    Chairman's opening remarks

    John Mathias

    John Mathias, Head of Medicinal Chemistry - Inflammation & Remodelling, Pfizer

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    9:10

    Exploring and conquering protein conformational space

    Andreas Kuglstatter

    Andreas Kuglstatter, Senior Prinicipal Scientist, Roche

  • Different strategies have been applied to determine X-ray crystal structures of target proteins in distinct conformations
  • The experimental insights into target protein flexibility have enhanced SBDD impact
  • Examples will be shown for aspartyl proteases, protein kinases and protein-protein interactions
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    9:50

    Implementing computational structural biology in biotherapeutic drug discovery

    Sudharsan Sridharan

    Sudharsan Sridharan, Scientist, MedImmune Inc.

  • Value of structural information in biotherapeutics discovery
  • Overcoming some of the challenges in biotherapeutic drug discovery using computational structural biology tools
  • Practical examples: protein-protein docking; aggregation propensity prediction; in silico mutagenesis
  • What could be the future computational structural biology needs of the biotherapeutics industry
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    10:30

    Morning coffee

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    10:50

    Modeling and simulation of GPCRs: applications to structure based drug design

    Hugo  Gutierrez de Teran

    Hugo Gutierrez de Teran, Researcher, Cell and Mol Biology, Uppsala University

  • Analysing the advances in membrane protein crystallography relating to GPCRs
  • Utilising a web-based automated pipeline to generate high-quality 3D models of GPCRs and to perform molecular dynamics simulations
  • Example of the system in practice - comprehensive deployment of this new approach in computational chemistry
  • clock

    11:30

    Water placement - application of 3D-RISM to structure-based drug design

    Paul  Labute

    Paul Labute, CEO, Chemical Computing Group

  • Examining the behaviour of water as it relates to ligand receptor interactions
  • Exploring the importance of predicting the location of water molecules
  • Applying 3D-RISM to illuminate the placement of water molecules
  • Presentation and discussion of several computational experiments
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    12:10

    Networking lunch

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    13:10

    Crafting metadynamics and water network perturbation in structure-based drug design

    Andrea Bortolato

    Andrea Bortolato, Senior Computational Chemistry, Heptares Therapeutics

  • Taming molecular docking using Hyde, WaterFLAP and WaterMap in a sophisticated and elegant computational chemistry protocol
  • Bringing a new level of complexity and understanding, analysing the full ligand binding event using Metadynamics
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    13:50

    Fragment based drug discovery - advancing the frontiers of drugability

  • Learnings from a decade of X-ray and biophysical fragment screening
  • Data driven optimisation of Astex's fragment library
  • Recent examples of fragment-to-candidate campaigns addressing challenging targets
  • Tom Heightman

    Tom Heightman, Senior Director, Astex Pharmaceuticals

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    14:30

    Divergent sequences stabilize antigen-binding conformations in affinity maturation of a broadly neutralizing influenza antibody lineage

    Huafeng Xu

    Huafeng Xu, Computational Chemist, D. E. Shaw Research

  • The discovery of broadly neutralizing antibodies against influenza and HIV raises the possibility that more effective vaccines can be developed against these rapidly evolving pathogens
  • Extensive mutations in the course of affinity maturation of such broadly neutralizing antibodies make it difficult to determine the mechanism of affinity gain and whether any particular mutations are key contributors
  • X-ray crystallography, long-timescale molecular dynamics (MD) simulations, and kinetic measurements suggested that the affinity increase in the mature antibodies was primarily attributable to the stabilization of the CDR H3 loop in the antigen-binding conformation
  • Based on MD simulations and existing crystal structures, we identified a few key mutations during affinity maturation which substantially stabilized the CDR H3 loop in further simulations and lead to increases in the experimentally measured antigen binding affinities
  • Our results suggest that epitope-specific antibodies can develop robustly via complementary independent pathways, with implications in vaccine design
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    15:10

    Afternoon tea

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    15:40

    What we can learn from fragment based optimisation programs

    Gyorgy Miklos Keseru

    Gyorgy Miklos Keseru, Director General, Hungarian Academy Of Sciences

    Results from the analysis of about 150 published fragment based optimisation programs will be discussed to answer the following questions:

  • Do fragment starting points eliminate the risk of property inflation per se
  • How do ligand efficiency metrics support fragment optimisations
  • What is the impact of the detection methods, the hit properties, the optimisation strategy and the company culture on the outcome of the optimisations?
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    16:20

    NMR based structural biology for fragment based drug discovery

    Oscar van Linden

    Oscar van Linden, Head of Medicinal Chemistry, ZoBio BV

  • Application of advanced NMR techniques to provide structural information of ligand-target complexes
  • Introduction of the NMR pyramid
  • Real life exampless emphasising the different levels of structure elucidation
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    17:00

    Chairman's closing remarks and close of day one

    John Mathias

    John Mathias, Head of Medicinal Chemistry - Inflammation & Remodelling, Pfizer

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    17:15

    Networking drinks reception hosted by Chemical Computing Group

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    8:30

    Registration and coffee

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    9:00

    Chairman's opening remarks

    John Mathias

    John Mathias, Head of Medicinal Chemistry - Inflammation & Remodelling, Pfizer

    clock

    9:10

    Aligning biochemical and biophysical assays for successful drug discovery

    Amaury Ernesto Fernandez-Montalvan

    Amaury Ernesto Fernandez-Montalvan, Lab Head, High Throughput Screening, Bayer HealthCare Pharmaceuticals

    clock

    9:50

    Identifying and designing different kinase inhibitors

    John Mathias

    John Mathias, Head of Medicinal Chemistry - Inflammation & Remodelling, Pfizer

  • Use of fragment screening and biophysics approaches in kinase drug discovery
  • Screening methods to identify differentiated kinase inhibitors
  • Impacts of inhibitor binding on pharmalogical mode of action
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    10:30

    Morning coffee

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    10:50

    Small molecule FBDD

    Rob Leurs

    Rob Leurs, Professor of Medicinal Chemistry, VU University Amsterdam

  • What are the key developments in this field?
  • Strengths and limitations of small versus large molecule FBDD
  • Conclusion - looking at forthcoming research and forward to the future
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    11:30

    Solubility-driven optimisation of PDE4 inhibitors

    Neil Press

    Neil Press, Director, Novartis

  • Enabling an improved drug profile in humans
  • Using creative chemistry approaches to obtain highly drug-like molecules
  • Analysis and discussion of clinical results
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    12:10

    Networking lunch

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    13:10

    Molecular design in lead optimisation: from leads to candidates

    Karl-Heinz Baringhaus

    Karl-Heinz Baringhaus, Site Director, R&D Frankfurt, Sanofi-Aventis

  • Application of SAR/QSAR in lead optimisation
  • Exploring ADMET and anti-target modelling of lead series
  • Data driven multidimensional compound optimisation
  • Presentation and discussion of examples
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    13:50

    Chemical probes for epigenetic proteins

    Paul Brennan

    Paul Brennan, Group Head/PI, Nuffield Department of Medicine

  • Discussion of optimisation for potency, selectivity and cellular activity
  • Using cycles of SBDD, parallel organic synthesis, biophysical testing and compound structure-activity relationship (SAR) analysis
  • Our work at University of Oxford in lead optimisation
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    14:30

    Afternoon tea

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    14:50

    Discovery of the first small molecule IL-17 antagonists

    Nils Hansen

    Nils Hansen, CEO, Vipergen

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    15:30

    Hit finding strategies for protease targets

    Harald Mauser

    Harald Mauser, Senior Scientist, Roche

  • Focused screening, which methods to apply?
  • What can we learn from fragments
  • Structure-guided hit optimisation - navigating in a multidimensional space
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    16:10

    Chairman's closing remarks and close of day two

    John Mathias

    John Mathias, Head of Medicinal Chemistry - Inflammation & Remodelling, Pfizer


    Lab Head, High Throughput Screening
    Bayer HealthCare Pharmaceuticals
    Senior Computational Chemistry
    Heptares Therapeutics
    Senior Prinicipal Scientist
    Roche
    Director General
    Hungarian Academy Of Sciences
    Senior Scientist
    Roche
    Computational Chemist
    D. E. Shaw Research
    Researcher, Cell and Mol Biology
    Uppsala University
    Head of Medicinal Chemistry - Inflammation & Remodelling
    Pfizer
    Site Director, R&D Frankfurt
    Sanofi-Aventis
    Director
    Novartis
    CEO
    Vipergen
    Head of Medicinal Chemistry
    ZoBio BV
    CEO
    Chemical Computing Group
    Group Head/PI
    Nuffield Department of Medicine
    Professor of Medicinal Chemistry
    VU University Amsterdam
    Scientist
    MedImmune Inc.
    Senior Director
    Astex Pharmaceuticals

    Workshops

    Marriott Regents Park

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    Marriott Regents Park

    This 4 star north London hotel in zone 2 is the perfect destination for the astute business traveler as well as the leisure guest that knows how convenient north London hotels are, as a base from which to explore the city .Bond Street is just 3 stops from Swiss Cottage underground station on the Jubilee Line, so you can be shopping, exploring the sights and taking in one of London’s world-renowned West End shows in less than 15 minutes when you stay at this hotel near central London. At the same time, the hive of activity that is Camden Town, the chic shops, cafes and restaurants of Primrose Hill and ZSL’s London Zoo in Regents Park are all just a short walk from this hotel in north London.

    HOTEL BOOKING FORM

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    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.

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    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, SAE Media 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@saemediagroup.com

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