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Conference Day One

08:30 AM - 09:15 AM Registration and welcome coffee

Who is who wall

Discover who else is participating in the conference. The matchmaking picture wall will help you identify who you want to meet at the conference. In cooperation with FUJIFILM.



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Dr. Richard Lewis

Global head, CADD
Novartis International AG, Switzerland

Library design strategies in a new chemical space

09:30 AM - 10:00 AM Unusual chemistries in library production

Dr. Thomas Maier, Head of Library Prodution, Sanofi Aventis Deutschland GmbH, Germany
  • Covalent fragment libraries

  • Macrocyclization reactions

  • Natural product modifications

  • Real-life case studies


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Dr. Thomas Maier

Head of Library Prodution
Sanofi Aventis Deutschland GmbH, Germany

10:00 AM - 10:30 AM Integrative methods to facilitate Fragment-Based Drug Discovery

Dr. Pawel Stanczak, Scientist, Dart Neuroscience, USA
  • Selection of biophysical methods for FBDD

  • Strengths and weaknesses of biophysical methods

  • Taking advantage of biophysical data to design the library of fragments


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Dr. Pawel Stanczak

Scientist
Dart Neuroscience, USA

10:30 AM - 11:00 AM Speed Networking

Get in touch with the other conference guests in quick paced 1-1 meetings – make sure you bring a stack of business cards. The session is followed by a short break.


11:00 AM - 11:30 AM Refreshment break and networking

11:30 AM - 12:00 PM Natural product libraries and their value in times of metabolomics and Nagoya protocol − Exemplified by the IPB collection

Prof. Dr. Ludger Wessjohann, Managing Director, Leibniz Institute of Plant Biochemistry, Germany
  • Introduction to the IPB compound, extract and organism library

  • Scientific problems with natural product (NP) libraries and the associated databases

  • Virtual screening vs real screening under NP constraints

  • Metabolomic profiling & NP libraries

  • Potential impact of Nagoya / CBD and legal issues on NP library users and source countries


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Prof. Dr. Ludger Wessjohann

Managing Director
Leibniz Institute of Plant Biochemistry, Germany

12:00 PM - 12:30 PM Exploring the properties of DNA encoded libraries as an integral part of GSK’s lead discovery strategy

Dr. Kenneth Lind, Manager Scientific Computing, R&D Platform, GSK, USA
  • Lessons learnt at GSK through the synthesis of over 100 libraries and performed selections against a variety of targets to discover novel binders

  • Understanding the properties of these libraries and interpreting the results of selections as a starting point for the design of new libraries

  • Chemical space covered by ELT and present results highlighting the diversity of compounds


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Dr. Kenneth Lind

Manager Scientific Computing, R&D Platform
GSK, USA

12:30 PM - 2:00 PM Networking Luncheon

2:00 PM - 2:30 PM REAL compound arrays: Pragmatic approach to exploration of the chemical space

Dr. Yurii Moroz, Senior Research Associate / Scientific Advisor, Taras Shevchenko National University of Kyiv / Enamine Ltd., Ukraine
  • Chemistry advances as driving force in drug discovery

  • Phenomenon of building blocks: Information-rich element of discovery

  • The concept of REAL compound arrays

  • New screening libraries and new building blocks

  • Case studies


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Dr. Yurii Moroz

Senior Research Associate / Scientific Advisor
Taras Shevchenko National University of Kyiv / Enamine Ltd., Ukraine

Targeted approaches, new binding sites and kinetics

2:30 PM - 3:00 PM Repurposing Suzuki coupling reagents as a directed fragment library targeting serine hydrolases and related enzymes

Dr. Mark Hixon, Senior Fellow, Modeling & Simulation, Takeda Pharmaceuticals, USA
  • Boronic acids are isosteres of serine hydrolase catalytic intermediates

  • Research institutions possess hundreds of chemically diverse boronic acid synthons because of Suzuki chemistry

  • Screening a library composed of these synthons against serine hydrolases produces high quality hits (LE > 0.6)

  • The boron-serine point of attachment facilitates an understanding the SAR


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Dr. Mark Hixon

Senior Fellow, Modeling & Simulation
Takeda Pharmaceuticals, USA

3:00 PM - 3:30 PM Poster Session

Bring your research projects and share your latest findings in an open discussion with the audience!


3:30 PM - 4:00 PM Refreshment break and networking

4:00 PM - 4:30 PM Instant Chemistry to explore new chemical space

Prof Alexander Dömling, Founder, Telesis Pharma BV.
  • Instant Chemistry allows for the one-step synthesis of complex small and medium sized molecules in unprecedented scaffold diversity

  • Instant Chemistry allows to tap into a very large chemical space

  • Novel artificial macrocycle scaffold will be disclosed

  • Applications of Instant Chemistry Space towards protein protein interactions will be discussed

  • Telesis offers custom synthesis of large libraries (103-104) allowing Pharma to efficiently tap Instant Chemical Space


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Prof Alexander Dömling

Founder
Telesis Pharma BV.

4:30 PM - 5:00 PM GPCRs: What do the diversity of new X-ray structures tell us about rational compound and library design?

Dr. Jonathan S. Mason, Senior Research Fellow, Head of CADD, Heptares Therapeutics, UK
  • Implications for design from the new binding sites discovered in recent GPCR X-ray structures

  • Using water in binding to generate new and modified property compounds

  • New structure-based approaches for the rational design of potency, selectivity and kinetics


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Dr. Jonathan S. Mason

Senior Research Fellow, Head of CADD
Heptares Therapeutics, UK

5:00 PM - 5:30 PM Reducing kinase off-target activity by identifying specificitydetermining subpockets

Prof. Dr. Andrea Volkamer, Junior Professor, Institute of Physiology, Charité - Universitätsmedizin Berlin, Germany
  • Many kinase inhibitors are unintentionally promiscuous

  • Novel structure-based approach to tackle compound selectivity deficits

  • Identification and visualization of kinase-specific subpockets


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Prof. Dr. Andrea Volkamer

Junior Professor, Institute of Physiology
Charité - Universitätsmedizin Berlin, Germany
  • Will the targets of the future be covered by the chemical matter of today?

  • Do we have the tools that can answer this question?

  • The interplay between druggability and ligandability

  • Future directions

Panel discussion will be followed by an Open Mic session: Join the discussion with the panel of experts and find collectively possible approaches and solutions


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Dr. Jonathan S. Mason

Senior Research Fellow, Head of CADD
Heptares Therapeutics, UK
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Dr. Richard Lewis

Global head, CADD
Novartis International AG, Switzerland
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Dr. Thomas Maier

Head of Library Prodution
Sanofi Aventis Deutschland GmbH, Germany
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Dr. Robert Goodnow

Executive Director
Chemistry Innovation Center, AstraZeneca, USA

6:15 PM - 7:00 PM Closing remarks by Dr. Richard Lewis

Dr. Richard Lewis, Global head, CADD, Novartis International AG, Switzerland

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Dr. Richard Lewis

Global head, CADD
Novartis International AG, Switzerland

7:00 PM - 11:59 PM Evening event

Enjoy a relaxing get-together for rounding up the first day of the conference. This is an excellent opportunity for you to meet the other attendees and make new business contacts. Relax and round off your first conference day in an informal atmosphere.