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Conference Day Two

09:00 AM - 09:30 AM Registration and welcome coffee

09:30 AM - 09:45 AM Welcome & opening address by chairman

Dr. Gerard Rosse, Associate Director, Dart Neuroscience, USA

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Dr. Gerard Rosse

Associate Director
Dart Neuroscience, USA

Discovery tools in drug development: DNA-encoded libraries and natural products as sources of chemical diversity

09:45 AM - 10:15 AM DNA-encoded chemistry: Enabling the deeper sampling of chemical space for drug discovery

Dr. Robert Goodnow, Executive Director, Chemistry Innovation Center, AstraZeneca, USA
  • Cost effective exploration of chemical spaces four to five orders of magnitude more deeply than by HTS

  • New opportunities and challenges of DNA-encoded library technology

  • Aqueous synthetic chemistry and building blocks diversity

  • What value is coming out of this approach?


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Dr. Robert Goodnow

Executive Director
Chemistry Innovation Center, AstraZeneca, USA

10:15 AM - 10:45 AM Analyzing building blocks diversity for DNA Encoded Library (DEL) design

Dr. Richard Lewis, Global head, CADD, Novartis International AG, Switzerland
  • DNA encoding: An opportunity to build massive hit-finding libraries

  • The challenge to cover chemical space appropriately

  • Current methods for selecting building blocks focus on 2D similarity and new Rooted 2D fingerprints

  • Development of complementary field-based descriptors and new clustering methods

  • Combination of tools with DEL technology to address the chemical space needed for hit finding against difficult future targets


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Dr. Richard Lewis

Global head, CADD
Novartis International AG, Switzerland

10:45 AM - 11:15 AM Refreshment break and networking

11:15 AM - 11:45 AM Counting on natural products in drug discovery and design _ Natural-product fragments

Prof. Dr. Gisbert Schneider, Department of Chemistry and Applied Biosciences, Institute of Pharmaceutical Sciences, Switzerland
  • How to predict the macromolecular targets of natural products

  • From complex natural products to synthetic small molecules

  • Natural-product fragments as starting points for drug design


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Prof. Dr. Gisbert Schneider

Department of Chemistry and Applied Biosciences
Institute of Pharmaceutical Sciences, Switzerland

11:45 AM - 12:15 PM Design and syntheses of natural products-derived privileged scaffolds as a unique source of molecules of therapeutic importance

Prof. Dr. Léon Ghosez, Professeur Emérite, Université catholique de Louvain, Belgium
  • Chemical descriptor of natural products: an optimal modulator of an area of biological interest

  • NPs use as templates for drug design

  • Development of short and productive syntheses of NPs’ inspired privileged scaffolds


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Prof. Dr. Léon Ghosez

Professeur Emérite
Université catholique de Louvain, Belgium

12:15 PM - 1:45 PM Networking luncheon

Deep Dive Sessions

1:45 PM - 2:45 PM Deep Dive Session


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Prof. Dr. Gisbert Schneider

Department of Chemistry and Applied Biosciences
Institute of Pharmaceutical Sciences, Switzerland

Table 2

1:45 PM - 2:45 PM New library structures: Should we rethink our approaches to hit finding and optimization?

Dr. Gerard Rosse, Associate Director, Dart Neuroscience, USA

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Dr. Gerard Rosse

Associate Director
Dart Neuroscience, USA

Table 3

1:45 PM - 2:45 PM CADD & Computational methods for the new chemical space

Dr. Kenneth Lind, Manager Scientific Computing, R&D Platform, GSK, USA

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Dr. Kenneth Lind

Manager Scientific Computing, R&D Platform
GSK, USA

2:45 PM - 3:15 PM Deep Dive recap - Guests will return where one member from each table will summarise the discussion outcomes in plenum

Charting new bioactive space for drug discovery: Collaboration trends, partnering strategies and library management models

3:15 PM - 3:45 PM The European Lead Factory: HTS screening in a public-private partnership

Dr. Andrew Pannifer, Head of Medicinal Technologies, European Screening Centre, IMI European Lead Factory, UK
  • Building the Joint European Compound Library

  • Early results from the screening campaigns

  • Exploiting the growing data set within the ELF database


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Dr. Andrew Pannifer

Head of Medicinal Technologies
European Screening Centre, IMI European Lead Factory, UK

3:45 PM - 4:15 PM Design Drugs Collaboratively Using Data Visualization

Anthony Donofrio, Senior Scientist, HTE and Lead Discovery Capabilities, Merck Research Laboratories
  • Multi-parameter visualization used by medicinal chemistry teams to analyze weekly experimental data together

  • Chemistry team decision-making capture used in data visualization

  • Multi-parameter visualization of virtual libraries to enable a streamlined approach to iterative drug design


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Anthony Donofrio

Senior Scientist, HTE and Lead Discovery Capabilities
Merck Research Laboratories

4:15 PM - 11:59 PM Closing remarks by Gerard Rosse

Dr. Gerard Rosse, Associate Director, Dart Neuroscience, USA

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Dr. Gerard Rosse

Associate Director
Dart Neuroscience, USA