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SMi presents the 15th Annual Advances and Progress in Drug Design 2016, with a strong focus on advanced biophysical technologies and combinatorial methods enabling greater insight of biologics and drug interaction. 
Hosted over two days, this international conference will provide an exclusive opportunity to gain new insight on small molecule-protein fragments, IMI Open PHACTS project for data mining work flows, and structure-based models combining hit finding strategies of fragment leads.
Inspiring talks will also highlight developments in the quality control of misfolded proteins, solvent effects, and protein-ligand stability; identifying whether the bound conformation of protein-ligand structure gives the lowest energy state and the impact of drug design.

Join us for a keynote address on reviving covalent drug design in oncology from Pfizer, and a case study session on target validation of NCE’s through fragment screening and opportunities for antibodies as guidance tools from UCB.
 

SMi’s 15th Annual Drug Design Conference will focus on biophysical techniques to highlight advancements in modelling protein conformations and drug candidates.

Challenges to be discussed include:
• Calculating entropic/ enthalpic contributions of water
• Accounting for protein stability, solvability and evolutionary conformational changes

Furthermore, we will take a closer look at the dissociation rates of drugs:

• Factors that influence the rate of dissociation/association
• Selectivity between competing receptor sites on proteins and their effect on drug efficacy and protein stability
 

New for 2016:
• Biophysical screening methods for small molecule probes in structural elucidation
• Optimisation receptor binding kinetics
• Fragment deconstruction methods and
• Clinical evaluation of fragment-based drug leads
• In silico metabolic prediction of hERG toxicity
 

 

SMi's 15th annual Advances and Progress in Drug Design Conference will build on the success of our previous events and bring together a unique mix of senior executives from all over industry and academia and will be an unrivalled forum for problem-solving discussion and debate.
 

This event is unmissable for VPs, Directors, Heads, Senior Managers and Pricnipal Scientists from the following departments:

Structure and Informatics

Computer-Aided Drug Design

Computational Chemistry

Cancer Research

Molecular Interaction

Medicinal Chemistry

Pharmacology

Molecular Imaging

Neuroscience Chemistry

Drug Discovery & Design

Target Discovery

Translational Sciences

Biophysics

Screening

Clinical Development

Structural Biology

Crystallography

Medicinal Chemistry


 

AsahiKasei Pharma Corporation; Astex Technology; AstraZeneca; Bayer HealthCare Pharmaceuticals; Bayer Pharma AG; Biomedical Research; Chemical Computing Group; Cresset Group; CRUK ; D. E. Shaw Research; Evotec UK Ltd; F2G Ltd; Galapagos; GALDERMA R&D; GSK; Heptares Therapeutics; Hungarian Academy Of Sciences; Institut de Recherches Servier; Institute of Cancer Research; Japan Tobacco Inc; Johnson and Johnson Pharmaceutical Research and Development; Kuwait National Petroleum Company- KNPC; Medicinal Chemistry; MedImmune; MedImmune Inc.; Novartis; Novartis Pharmaceuticals; Nuffield Department of Medicine; Pfizer; Pfizer Global Research and Development; Roche ; Sanofi-Aventis; The Research Network Ltd; University College London; University Of Campinas; University Of Sussex; Uppsala University; Vernalis; Vertex; Vipergen; VU University Amsterdam; ZoBio BV;

Conference programme

8:30 Registration & Coffee

9:00 Chairman's Opening Remarks

Gregg Siegal

Gregg Siegal, Chief Executive Officer, ZoBio

9:10 OPENING ADDRESS: Using Biophysics to Drive Drug Discovery

Gregg Siegal

Gregg Siegal, Chief Executive Officer, ZoBio

  • Enabling proteins for biophysics and structural biology
  • Detecting and characterizing small molecule-target interactions with biophysics
  • The complementarity of NMR and X-ray for structural information
     
  • 9:50 A toolbox for fragment optimisation

    Gianni Chessari

    Gianni Chessari, Director, Astex Pharmaceuticals

  • Are all protein-fragment interactions favourable? 
  • Is the bound conformation a low energy geometry?
  • Where do I grow my fragment?
  • 10:30 Morning Coffee

    11:00 Organizing 3D project data for structure-based drug design

    Howard  Feldman

    Howard Feldman, Principal Scientist, Chemical Computing Group

      

  • Organise disparate crystallographic project data into a common homogeneous format
  • Automatically keep up-to-date
  • Perform family-based structure searches and homology modeling
  •  

    11:40 KEYNOTE ADDRESS: Reviving covalent drug design: Discovery of PF-04457845, an irreversible FAAH inhibitor with exquisite selectivity

    Doug Johnson

    Doug Johnson, Research Fellow, Pfizer

  • The unique benefits of small molecule covalent drug candidates
  • Activity-based protein profiling and clickable probes to evaluate selectivity of covalent binding
  • Biomarkers and PET ligand to determine target engagement in humans
  • 12:20 Networking Lunch

    13:30 Exploring uncharted kinome territory by mining structural information

    Simone Fulle

    Simone Fulle, Research Group Leader, BioMed X Innovation Center

  • Prioritizing kinase structures for drug discovery efforts
  • Dealing with protein flexibility
  • Mining selectivity determining features in binding sites
  • 14:10 Design and utility of compound libraries derived from High Throughput Chemistry in the Lead Optimization process

    Stevan Djuric

    Stevan Djuric, Senior Director Discovery Chemistry and Technology, AbbVie

    ·          Generation and and implementation of chemoinformatic tools for the design and production of high throughput chemical libraries

    ·          DOE tools for reaction “scouting” on a flow based library production platform

     

    14:50 Getting the right pose; where is the signal?

    Paul Hawkins

    Paul Hawkins, Applications Science Group Leader, OpenEye Scientific Software

  • Pose prediction in lead optimization is a challenging problem.
  • Generating a confidence in a predicted pose is more difficult still.
  • Protein flexibility is difficult to model.
  • Solution: improve performance and reliability by consuming all the relevant experimental information in the pose calculation.
  • 15:30 Afternoon Tea

    16:00 eHOMO calculations as a predictor for mutagenesis propensity of compounds

    Jordi Munoz Muriedas

    Jordi Munoz Muriedas, Investigator, GSK

  • HOMOlogate” your compounds to understand their mutagenic risk
  • Use it as a tool to improve interpretation of mechanisms driving mutagenicity
  • Use it as a tool to improve communication between safety and lead optimisation
  • 16:40 Linked open data in drug discovery: where are we?

    Herman van Vlijmen

    Herman van Vlijmen, Senior Director, Janssen

  • The IMI Open PHACTS project: status and outlook 
  • Data mining workflows using linked open data
  • A pharma challenge: merging public and private data
  • 17:20 Chairman’s Closing Remarks and Close of Day One

    Gregg Siegal

    Gregg Siegal, Chief Executive Officer, ZoBio

    17:30 Sponsored Drinks Reception

    8:30 Registration & Coffee

    9:00 Chairman's Opening Remarks

    Gregg Siegal

    Gregg Siegal, Chief Executive Officer, ZoBio

    9:10 OPENING ADDRESS: Structure-based drug discovery inspired by fragments: Methods, design and binding affinity

    Hans Matter

    Hans Matter, Senior Scientist, Sanofi-Aventis

    Fragments combined with structure-based design play an important role in today’s drug discovery. The use of fragment-derived building blocks as seeds for further design will be illustrated in this contribution.

  • A fragment deconstruction approach will be presented to explore the super-additivity of fragment linking in protein-ligand complexes. By connecting two fragments with a single bond for serine protease inhibitors, a high linker contribution with significant improvement in affinity was observed.
  • Scoring functions are models for estimating the strength of non-covalent interaction. Key is a fundamental understanding of favourable and unfavorable protein-ligand interactions. Some tailoring towards fragments and lead-series will be shown.
  • Interaction of halogen atoms to binding sites has also consequences for affinity. Some interaction components of fragment contacts to aryl-rings, halogen-bonding and binding-site desolvation will be discussed. As classical force-fields cannot account for halogen-mediated interactions due to missing treatment of the “sigma”-hole, local properties from quantum-mechanical techniques that do not suffer from these limitations, will be presented.
  •  
     

    9:50 Water mapping on drug design

    Benjamin Tehan

    Benjamin Tehan, Senior Computational Chemist, Heptares Therapeutics

    10:30 Morning Coffee

    11:00 Structure based drug design of the first known inhibitors of PHGDH

    Attilla Ting

    Attilla Ting, Computational Chemist, AstraZeneca

  • Multiple hit finding strategies conducted in parallel including directed libraries, HTS and fragment based lead generation for this challenging target
  • X-ray structures give unique insight to the binding mode and enable structure based design
  • Application of biophysic methods - NMR, biacore and ITC to aid prioritization and characterisation of hits and lead to delivery of first known PHGDH inhibitors
  • 11:40 Growing a baby: identifying and optimising quality leads and overcoming restraints in drug discovery

    Manuel  Molina

    Manuel Molina, Research Scientist, Eli Lilly

  • Evolution of fragment –derived chemical leads in comparison to alternative methods
  • Enabling biophysical technologies in drug discovery
  • Bridging different approaches in drug design to identify and optimise meaningful drug lead compounds.
  • Opportunities in biophysical screening to catch up with FBDD techniques
  • 12:20 Networking Lunch

    13:30 Atomic resolution for drug discovery

    Armin  Ruf

    Armin Ruf, Section Head Biostructure, Roche

  • How to get high resolution X-ray diffraction
  • General benefits for computer aided design
  • Atomic resolution structures of fragment screening hits

     

  • 14:10 Predicting ADMET and potency in drug design

    Alexander Hillisch

    Alexander Hillisch, Director, Medicinal Chemistry , Bayer

  • In silico ADMET prediction platform @ Bayer
  • Selected models: pKa prediction
  • Prediction of binding affinity to target proteins
  • Free energy perturbation
  • Application examples
  • Compound prioritization in large chemical optimization space
     
     
  • 14:50 Fragment-based approach at UCB

    Marta Westwood

    Marta Westwood, Principal Scientist, UCB Pharma

  • Targeting Protein-Protein Interactions (PPIs): challenges
  • Prosecuting PPI using Fragment-Based approach
  • Choosing targets for NCE programmes
  • Fragments at UCB
  • Fragment screening capacity at UCB - Fragment Screen of 12 PPI targets
  • Identifying reliable chemical starting points-screening cascade triage
  • Antibodies as tools to find new chemical matter
  •  

    15:30 Afternoon Tea

    16:00 Biophysical screening tools for compound validation

    Alexey Rak

    Alexey Rak, Head of Bio Structure & Biophysics, Sanofi

  • Small molecule probes to elucidate structural information and early validation
  • Tackling sensitivity issues in small-molecule ligand screening to generate lead hits
  • Integrated approaches for fragment screening to increase robustness
  • 16:40 Assessment of binding kinetics and “slow-off” rates

    Matthias Frech

    Matthias Frech, Director, Merck KGaA

  • Optimisation of factors that control Kass and Kdiss rates
  • Assessing the effects of receptor binding kinetics on drug efficacy an duplications of side effects
  • 17:20 Moving in water: molecular simulations as enabling tools for hit and lead generation

    Xavier Barril

    Xavier Barril, ICREA Research Professor, Barcelona University

  • Molecular Dynamics (MD) simulations are becoming the workhorse of routine drug design applications.
  • Solvent and dynamic effects bring about a major improvement in the quality of the predictions
  • Applications to druggability assessment, binding site mapping and virtual screening will be presented
  •  

    18:00 Chairman’s Closing Remarks and Close of Day Two

    Gregg Siegal

    Gregg Siegal, Chief Executive Officer, ZoBio

    +

    FEATURED SPEAKERS

    Armin  Ruf

    Armin Ruf

    Section Head Biostructure, Roche
    Doug Johnson

    Doug Johnson

    Research Fellow, Pfizer
    Gianni Chessari

    Gianni Chessari

    Director, Astex Pharmaceuticals
    Gregg Siegal

    Gregg Siegal

    Chief Executive Officer, ZoBio
    Hans Matter

    Hans Matter

    Senior Scientist, Sanofi-Aventis
    Herman van Vlijmen

    Herman van Vlijmen

    Senior Director, Janssen
    Matthias Frech

    Matthias Frech

    Director, Merck KGaA

    Alexander Hillisch

    Director, Medicinal Chemistry , Bayer
    Alexander Hillisch

    Alexey Rak

    Head of Bio Structure & Biophysics, Sanofi
    Alexey Rak

    Armin Ruf

    Section Head Biostructure, Roche
    Armin  Ruf

    Attilla Ting

    Computational Chemist, AstraZeneca
    Attilla Ting

    Benjamin Tehan

    Senior Computational Chemist, Heptares Therapeutics
    Benjamin Tehan

    Doug Johnson

    Research Fellow, Pfizer
    Doug Johnson

    Gianni Chessari

    Director, Astex Pharmaceuticals
    Gianni Chessari

    Gregg Siegal

    Chief Executive Officer, ZoBio
    Gregg Siegal

    Hans Matter

    Senior Scientist, Sanofi-Aventis
    Hans Matter

    Herman van Vlijmen

    Senior Director, Janssen
    Herman van Vlijmen

    Howard Feldman

    Principal Scientist, Chemical Computing Group
    Howard  Feldman

    Jordi Munoz Muriedas

    Investigator, GSK
    Jordi Munoz Muriedas

    Manuel Molina

    Research Scientist, Eli Lilly
    Manuel  Molina

    Marta Westwood

    Principal Scientist, UCB Pharma
    Marta Westwood

    Matthias Frech

    Director, Merck KGaA
    Matthias Frech

    Mike Hann

    Director, Computational & Structural Sciences, GlaxoSmithKline
    Mike Hann

    Paul Hawkins

    Applications Science Group Leader, OpenEye Scientific Software
    Paul Hawkins

    Simone Fulle

    Research Group Leader, BioMed X Innovation Center
    Simone Fulle

    Stevan Djuric

    Senior Director Discovery Chemistry and Technology, AbbVie
    Stevan Djuric

    Xavier Barril

    ICREA Research Professor, Barcelona University
    Xavier Barril

    Sponsors and Exhibitors

    Supporting Media Partners

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    Workshops

    A fresh view on molecular recognition: The dynamic perspective
    Workshop

    A fresh view on molecular recognition: The dynamic perspective

    Holiday Inn Kensington Forum
    17th February 2016
    London, United Kingdom

    Analysis and Application of Ligand Conformation in Drug Design
    Workshop

    Analysis and Application of Ligand Conformation in Drug Design

    Holiday Inn Kensington Forum
    17th February 2016
    London, United Kingdom

    VENUE

    Holiday Inn Kensington Forum

    97 Cromwell Road , London, United Kingdom

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    HOTEL BOOKING FORM

    List of 2016 Attendees

    Download

    Interview with Dr Xavier Barril, ICREA Research Professor, School of Pharmacy, Barcelona University

    Download

    Interview with Gregg Seigal, Chief Executive Officer, ZoBio

    Download

    Interview with Ben Tehan, Principle Computational Chemist, Heptares Therapeutics

    Download

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    Chemical Computing Group

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    NanoTemper Technologies

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    NanoTemper Technologies develops, produces and sells innovative instruments for biomolecular interaction analytics, with applications in basic research and the pharmaceutical and biotech industries. Headquartered in Munich, Germany with subsidiaries across the globe, NanoTemper is expanding rapidly. NanoTemper's high quality instruments are based on the proprietary and unique MicroScale Thermophoresis (MST) and nanoDSF technologies, as well as the recently acquired Surface Acoustic Wave (SAW) technology.


    OpenEye Scientific Software

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    OpenEye Scientific Software develops large-scale applications and toolkits for drug design and molecular modeling. The software is designed for scientific rigor, speed, scalability and platform independence. Its primary aim is virtual screening and lead-hopping. Areas of expertise include cheminformatics, conformer generation, docking, shape comparison, electrostatics, crystallography and visualization.

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    IJCBDD, an International Society of Intelligent Biological Medicine official journal, bridges the gap between two very important, complementary disciplines, computational biology and drug design. Through advances in high-throughput genome sequencing and digital imaging technologies, biocomputing, drug design and medical research have unfolded new, predictive sciences such as genomics, proteomics, lipidomics, metabolomics, cytomics and pharmaconomics. These promote new computational, statistical and biomedical approaches to drug design/development, besides unleashing the potential of significantly more accurate, effective personalised diagnosis, therapeutics and patient care.

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    Drugdevelopment-technology.com covers every aspect of the drug development and research process, from conception to pre-FDA approval. Our global network of journalists updates the site with the latest and most significant industry developments. This coverage allows us to provide everyone - from senior management through to research and QA staff – with in-depth reviews of the latest projects, advance notice of new product releases and analysis of the latest procedural and legislative developments.


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    PharmaVOICE magazine, and its supporting VIEW publications, provide commentary about the challenges and trends impacting the life-sciences industry, covering a range of issues from molecule through market. PharmaVOICE's more than 41,000 U.S.-based subscribers are also kept abreast of the latest trends through additional media resources, including WebSeminars, Podcasts, Videocasts, and White Papers.


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    Drug Discovery Today will benefit your research by helping to keep you up-to-date with all of the fast-moving and emerging topics in drug discovery. Each issue is packed full of the latest research news, peer-reviewed articles and comment and opinion from leading research scientists.


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    Holiday Inn Kensington Forum

    97 Cromwell Road
    London SW7 4DN
    United Kingdom

    Holiday Inn Kensington Forum

    Holiday Inn Kensington Forum is perfectly situated in one of London’s most luxurious and beautiful areas within South Kensington. 

    The hotel is just 2 minutes walk from Gloucester Road tube station for convenient travel to Hyde Park, London Eye, Tower Bridge plus more of London’s top attractions. There are also easy and direct links to some major transport hubs including Victoria, Kings Cross St Pancras, Paddington and Heathrow. 

    This distinctive hotel in south London has so much to offer to make all guests really feel at home. The latest Holiday Inn relaunch is not just about the new look and feel for the hotel but to offer guests more benefits during their stay including a pillow menu for extra comfort during their sleep and a curved shower rail for more spacious feel. 

    In addition to our 906 rooms, all business guests can take advantage of our meeting and conference facilities including High Speed Internet Access and unlimited Starbucks coffee at The Academy. Our hotel’s professional event planners are on board to help take the hard work and stress away from planning your next event. 

    So whether you in London on business or pleasure, make the Holiday Inn London Kensington Forum your first choice of hotel and book your accommodation for our lowest internet rate guarantee. 

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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.

    ‘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

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    Contact SMi GROUP LTD

    UK Office
    Opening Hours: 9.00 - 17.30 (local time)
    SMi Group Ltd, 2nd Floor South, Harling House, 47-51 Great Suffolk Street, London, SE1 0BS, United Kingdom, Link to Map
    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




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