Fragments 2013


Speakers: 3 March 2010

Thorsten Nowak
Conformetrix, UK
History and basics of fragment‐based drug discovery

Samantha Hughes
BioFocus, UK
Fragment library design and screening methodologies

Gordon Saxty
Astex Pharmaceuticals, UK
Case studies in FBDD

Mike Hann
GlaxoSmithKline, UK
Comparison to other technologies and challenges going forward

Speakers: 4 March 2013

Dan Erlanson
Carmot Therapeutics, US
Fishing from fragments into new chemical space

Dirk Ullmann
Evotec, DE
New methods for biophysical screening of fragments

Charlotte Allen
Imperial College London, UK
Application of kinetic template‐guided tethering (KTGT) to identify inhibitors of proteinprotein interactions

Tonia Aristotelous
University of Dundee, UK
GPCR biophysical fragment screening: discovery of novel β2 adrenergic receptor ligands

Sophie Bertrand
GlaxoSmithKline, UK
Impact of sp3‐richer fragments on improving intracellular activity in c‐Abl kinase activation

Dan Chen
ZoBio, NL
Fragment screening of GPCRs using biophysical methods: identification of new biological interesting ligands of adenosine A2A receptor

Richard Doveston
University of Leeds, UK
Realising lead‐oriented synthesis

Tian Geng
Imperial College London, UK
Structure studies on histamine receptor ‐ H1

Rhian Holvey
University of Cambridge, UK
Fragment‐based approach towards inhibitors of the TPX2 – importin‐α Interaction

Sebastiaan Kuhne
VU University Amsterdam, NL
Probing histamine H1 receptor binding sites by structure‐based fragment optimization

Jonathan Macdonald
The Institute of Cancer Research, UK
The determinants of kinome selectivity in imidazo[4,5‐b]pyridine based fragment libraries

Gabrielle Milson
University of Nottingham, UK
Development of a single‐molecule force‐based approach for fragment screening

Yi Mok
The Institute of Cancer Research, UK
Commercial fragment coverage of exemplified medicinal chemistry substructures from ChEMBL

Daniel Moser
Goethe University Frankfurt, DE
A neural gas‐based approach towards pharmacophore model elucidation

Lars Ruddigkeit
University of Berne, CH
Enumeration and virtual screening of the chemical universe up to 17 atoms

Julia Weber
Goethe University Frankfurt, DE
VAMMPIRE: a matched molecular pairs database for structure‐based drug design and optimisation

Tony Giannetti
Genentech, US
Technological developments to enhance fragment hit‐to‐lead

Jon Winter
AstraZeneca, UK
Identification of lactate dehydrogenase A inhibitors using fragment‐based lead generation

Ursula Egner
Bayer Healthcare, DE
Fragment screening experiences: biophysical filters and proteases

Gianni Chessari
Astex Pharmaceuticals, UK
The application of fragment‐based drug discovery to a protein‐protein interaction target

Speakers: 5 March 2013

Rod Hubbard
University of York / Vernalis, UK
Progressing fragments for challenging targets

Paul Bamborough
GlaxoSmithKline, US
Playing the system: focused fragments for kinases and bromodomains

Andreas Heine
Philipps University of Marburg, DE
Little ones grow faster: from probes to fragments and leads

John Christopher
Heptares Therapeutics, UK
GPCR fragment‐based drug discovery: from hits to leads to structures

Lawrence C Kuo
Janssen Research & Development, US
Applying multiple FBDD techniques to the same protein: synergy or destructive interference in hit finding?

Heather Twin
Vertex, UK
Fragment‐based drug design of ITK inhibitors

Steven J Taylor
Boehringer‐Ingelheim, US
Fragment‐based approaches towards drugging proteases

Dustin J Mergott
Eli Lilly and Company, US
Robust central reduction of amyloid‐b in humans with LY2811376 and LY2886721


Downloadable Files

History and basics of fragment‐based drug discovery
Thorsten Nowak
PDF iconPDF (608k)  

Fragment library design and screening methodologies
Samantha Hughes
PDF iconPDF (281k)  

Case studies in FBDD
Gordon Saxty
PDF iconPDF (226k)  

Comparison to other technologies and challenges going forward
Mike Hann
PDF iconPDF (474k)  

Application of kinetic template‐guided tethering (KTGT) to identify inhibitors of proteinprotein interactions
Charlotte Allen
PDF iconPDF (69k)  

GPCR biophysical fragment screening: discovery of novel β2 adrenergic receptor ligands
Tonia Aristotelous
PDF iconPDF (126k)  

Impact of sp3‐richer fragments on improving intracellular activity in c‐Abl kinase activation
Sophie Bertrand
PDF iconPDF (76k)  

Fragment screening of GPCRs using biophysical methods: identification of new biological interesting ligands of adenosine A2A receptor
Dan Chen
PDF iconPDF (95k)  

Realising lead‐oriented synthesis
Richard Doveston
PDF iconPDF (196k)  

Structure studies on histamine receptor ‐ H1
Tian Geng
PDF iconPDF (143k)  

Fragment‐based approach towards inhibitors of the TPX2 – importin‐α Interaction
Rhian Holvey
PDF iconPDF (210k)  

Probing histamine H1 receptor binding sites by structure‐based fragment optimization
Sebastiaan Kuhne
PDF iconPDF (161k)  

The determinants of kinome selectivity in imidazo[4,5‐b]pyridine based fragment libraries
Jonathan Macdonald
PDF iconPDF (498k)  

Development of a single‐molecule force‐based approach for fragment screening
Gabrielle Milson
PDF iconPDF (163k)  

Commercial fragment coverage of exemplified medicinal chemistry substructures from ChEMBL
Yi Mok
PDF iconPDF (74k)  

A neural gas‐based approach towards pharmacophore model elucidation
Daniel Moser
PDF iconPDF (115k)  

Enumeration and virtual screening of the chemical universe up to 17 atoms
Lars Ruddigkeit
PDF iconPDF (144k)  

VAMMPIRE: a matched molecular pairs database for structure‐based drug design and optimisation
Julia Weber
PDF iconPDF (125k)  

Progressing fragments for challenging targets
Rod Hubbard
PDF iconPDF (1330k)  

Fragment‐based approaches towards drugging proteases
Steven J Taylor
PDF iconPDF (795k)  


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