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SMi are proud to present the 14th Annual Advances and Progress in Drug Design Conference, convening in Central London on Monday 16 and Tuesday 17 February 2015.

The drug is most commonly an organic small molecule that activates or inhibits the function of a biomolecule such as a protein, which in turn results in a therapeutic benefit to the patient. Drug design involves the designing of small molecules that are complementary in shape and charge to the biomolecular target with which they interact and therefore will bind to it. Drug design, is the inventive process of finding new medications based on the knowledge of the biological target.

 

As science and technology is advancing, drug designing has moved from traditional methods to advanced methods like computer aided drug designing and computational techniques. This informative event will focus on the recent developments and growth drivers in drug design.

High profile scientists from pharma companies and biotech organisations will be speaking about structure based drug designing, fragment based drug designing, computer based drug designing, pharmacokinetics, polypharmacology and metabolism in drug designing.
 

Coverage of the traditional and more recent methods of drug designing and understanding the recent advances in these


Case study presentations from the top pharma companies


Expanded sessions on fragment based, structure based and computer based designing


Inclusion of pharmacokinetics, polypharmacology and metabolism in drug design


Network & collaborate with eminent scientists, professors, researchers and expertise in the field


 

   

 

SMi's 14th 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

Hugo  Gutierrez de Teran

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

9:10 Compound Design and Analysis Using Integrated Chemical and Biological Information

Andreas Bender

Andreas Bender, Lecturer for Molecular Informatics, University of Cambridge

  •  How to use integrate bioactivity information and gene expression data for mode-of-action analysis
  • How to use integrated biological and chemical data for compound selection and drug repurposing
  • How to use integrated data sources for safety assessment and scaffold prioritization
  • 9:50 Structure based design of PDE2 inhibitors

    Gary Tresadern

    Gary Tresadern, Principal Scientist-Computational Chemistry, Janssen Research & Development

  • Potent and selective PDE2 inhibitors have been identified
  • Structure based design was crucial for their identification
  • Modelling approaches of increasing sophistication will be discussed
  • 10:30 Morning Coffee

    11:00 Creating Focused Mutant Libraries for Protein Engineering

    Paul Labute

    Paul Labute, President & CEO, Chemical Computing Group

  • Computational approach for calculating mutation frequencies and predicting mutation probabilities for sequence residue sites
  • Apply mutation probabilities to efficiently sample and reduce the sequence search space
  • Enrich the number of actives by generating virtual focused protein and antibody libraries for rational biologics design
  • 11:40 The ABC of kinase conformations – Interplay of conformation, sequence and ligand binding

    Henrik Moebitz

    Henrik Moebitz, Investigator, Novartis

  • On the basis of a structure based sequence alignment a universal residue nomenclature is proposed. In this talk a comprehensive classification of kinase domain conformations with a small set of clusters is presented
  • Stabilization of the active conformation, as well as inactivation by displacement of helix-C or the activation loop is linked to the interaction between helix-C and the DFG motif.
  • We show that the conformation of the DFG motif is tightly correlated with the propensity of helix-C displacement
  • 12:20 Networking Lunch

    13:20 High End GPCR Design: The slippery slope to potency, selectivity and kinetics

    Francesca Deflorian

    Francesca Deflorian, Senior Computational Chemist, Heptares Therapeutics

  •  Full “high-end” SBDD for GPCRs
  • The importance of water molecules & their energies in GPCR drug design
  • New perspectives on druggability, selectivity and kinetics
  • 14:00 Predicting protein structure, ligand binding and receptor selectivity on GPCRs

    Hugo  Gutierrez de Teran

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

    14:40 Afternoon Tea

    15:10 Identification of drug candidates using network pharmacology based computational modelling

    Ben Allen

    Ben Allen, Computational Research Scientist, e-Therapeutics plc

  • Biology and disease are complex systems that can be modelled as networks of interacting proteins
  • Network science allows the identification of key proteins that can be perturbed for maximum system level effects
  • Proprietary chemoinformatics tools allow e-Therapeutics to identify compounds that interact with those sets of key proteins, and hence which are likely to show phenotypic activity
  • 15:50 Panel Discussion: How have computational and predictive tools matured for the application of drug discovery?

    Hugo  Gutierrez de Teran

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

    Gary Tresadern

    Gary Tresadern, Principal Scientist-Computational Chemistry, Janssen Research & Development

    Paul Labute

    Paul Labute, President & CEO, Chemical Computing Group

    16:30 Chairman’s Closing Remarks and Close of Day One

    16:45 Onwards- Drinks Reception by Chemical Computing Group

    8:30 Registration & Coffee

    9:00 Chairman's Opening Remarks

    Andreas Bender

    Andreas Bender, Lecturer for Molecular Informatics, University of Cambridge

    9:10 Rational GPCR drug discovery?

    Zara Sands

    Zara Sands, Principal Scientist, Medicinial Chemistry, UCB BioPharma

  • Successful application of ligand-based and structure-based computational approaches for the rational design of novel GPCR antagonists
  •  Designing novel and improved allosteric GPCR modulators through a computationally integrated design strategy
  •  Opportunities and challenges that must be addressed to enhance our GPCR rational design capabilities
  • 9:50 Fragment Based Design of Protein-Protein Interaction Antagonists

    Gianni Chessari

    Gianni Chessari, Director, Computational Chemistry, Astex Pharmaceuticals

  •  X-ray and biophysical fragment screening of protein-protein interaction targets
  • Structure based driven optimisation of mM fragment into potent lead molecules
  • Development of potent dual antagonist of XIAP and cIAP1
  • 10:30 Morning Coffee Sponsor Session

    11:00 KEYNOTE ADDRESS - Building a Robust Technology Pipeline for Robust Fragment Based Drug Discovery

    Gregg Siegal

    Gregg Siegal, Chief Scientific Officer, ZoBio BV

    The keys to successful FBDD are:

  • Orthogonality
  • High quality protein preparations
  • Availability of structural information - from multiple methods
  • 11:40 NMR-based fragment screening and validation for novel kinase and phosphate targets

    Michael Overduin

    Michael Overduin, Professor of Structural Biology, University of Birmingham

  • Are there novel ways to inhibit kinase targets?
  • Could phosphatases become druggable targets?
  • Can novel lipid binding sites be identified in targets including proteases?
  • Can native membrane protein targets be isolated?
  • The methods involved include:
  • NMR spectroscopy based fragment screening
  • MODA-based prediction of membrane binding sites
  • Styrene maleic acid polymer-based protein extraction
  • 12:20 Networking Lunch

    13:20 Structure-based design of kinase inhibitors

    Oliver Plettenburg

    Oliver Plettenburg, Head of Biosensors & Chemical Probes, Sanofi-Aventis

  • Kinases represent a target class of high therapeutic interest in oncology and beyond
  • The advances of structural biology and the availability of a wide variety of X-ray structures of target and antitarget kinases significantly facilitated the development of new kinase inhibitors
  • Fundamentals and structure-based design of various novel kinase inhibitors will be discussed. In addition, a case study on the development of novel, highly selective Rho-kinase inhibitors will be presented
  • 14:00 Afternoon Tea

    14:30 Using Chemical and Biological information for Compound Selection and Prioritisation

    Richard Lewis

    Richard Lewis, Executive Director, Computer-Aided Drug Design, Novartis Pharmaceuticals

  •  Data-driven discovery - Addressing how modelling can actually impact drug discovery
  • 15:10 Chairman’s Closing Remarks and Close of Day Two

    +

    FEATURED SPEAKERS

    Andreas Bender

    Andreas Bender

    Lecturer for Molecular Informatics, University of Cambridge
    Ben Allen

    Ben Allen

    Computational Research Scientist, e-Therapeutics plc
    Gary Tresadern

    Gary Tresadern

    Principal Scientist-Computational Chemistry, Janssen Research & Development
    Gianni Chessari

    Gianni Chessari

    Director, Computational Chemistry, Astex Pharmaceuticals
    Gregg Siegal

    Gregg Siegal

    Chief Scientific Officer, ZoBio BV
    Hugo  Gutierrez de Teran

    Hugo Gutierrez de Teran

    Researcher, Researcher, Cell & Mol Biology, Uppsala University
    Michael Overduin

    Michael Overduin

    Professor of Structural Biology, University of Birmingham
    Oliver Plettenburg

    Oliver Plettenburg

    Head of Biosensors & Chemical Probes, Sanofi-Aventis
    Zara Sands

    Zara Sands

    Principal Scientist, Medicinial Chemistry, UCB BioPharma

    Andreas Bender

    Lecturer for Molecular Informatics, University of Cambridge
    Andreas Bender

    Ben Allen

    Computational Research Scientist, e-Therapeutics plc
    Ben Allen

    Francesca Deflorian

    Senior Computational Chemist, Heptares Therapeutics
    Francesca Deflorian

    Gary Tresadern

    Principal Scientist-Computational Chemistry, Janssen Research & Development
    Gary Tresadern

    Gianni Chessari

    Director, Computational Chemistry, Astex Pharmaceuticals
    Gianni Chessari

    Gregg Siegal

    Chief Scientific Officer, ZoBio BV
    Gregg Siegal

    Henrik Moebitz

    Investigator, Novartis
    Henrik Moebitz

    Hugo Gutierrez de Teran

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

    Michael Overduin

    Professor of Structural Biology, University of Birmingham
    Michael Overduin

    Oliver Plettenburg

    Head of Biosensors & Chemical Probes, Sanofi-Aventis
    Oliver Plettenburg

    Paul Labute

    President & CEO, Chemical Computing Group
    Paul Labute

    Richard Lewis

    Executive Director, Computer-Aided Drug Design, Novartis Pharmaceuticals
    Richard Lewis

    Zara Sands

    Principal Scientist, Medicinial Chemistry, UCB BioPharma
    Zara Sands

    Sponsors and Exhibitors

    Supporters

    Interview with Gary Tresadern, Principle Scientist, Computational Chemistry, Lead Discovery, Janssen Research and Development

    Download

    Interview with Drug Design 2015 conference chairman, Dr Hugo Gutierrez de Teran

    Download

    Sponsors and Exhibitors


    Chemical Computing Group

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    http://www.chemcomp.com/

    CCG (Chemical Computing Group) is a leading supplier of software solutions for life sciences. With a proven track record in scientific innovation, CCG provides state-of-the-art applications in drug discovery to pharmaceutical, biotechnology and academic researchers. CCG headquarters are in Montreal (Canada), with support offices in North America, Europe and Asia.

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    Pharmaceutical Technology

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    Lab Bulletin

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    Select Science

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    British Pharmacological Society

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    Pharmavision

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    Gate2Biotech

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    Absave

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    Farmavita

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    Swiss Biotech Association

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    For over a decade DDW has continued to be the ‘must read’ journal within the DD&D Arena. DDW is recognised for voicing the opinions of some of the Industry’s leading luminaries and has become a recognised platform for Industry Gurus to debate some of the more challenging technological and business issues facing the the life science industry. DDW adheres to the maxim..... ‘Turning Science into Business’ DDW examines the advances in new technologies and the associated implications within the context of developing new and efficacious therapeutics. DDW is distinguishable in that it reaches out to a global audience at both bench and boardroom level, allowing both camps to profit from the uncomplicated style of editorial but at the same time challenges our readers to look at new ways to overcome discovery bottlenecks, embrace nascent technologies and build next generation technology platforms.


    Labsave

    Supporters
    http://www.labsave.com

    Labsave is the leading savings website for Laboratory Equipment and Lab Supplies. We work closely with the top suppliers in the world to bring you the best products at the most competitive prices. We are constantly striving to secure the biggest and most exclusive offers that you won’t find anywhere else! http://www.labsave.com/

    Marriott Regents Park

    128 King Henry's Road
    London NW3 3ST
    United Kingdom

    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.

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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, 1 Westminster Bridge Road, London, SE1 7XW, United Kingdom
    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
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