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NMR in Drug Discovery

19 Oct 06

Barcelona, Spain. 19 - 21 October, 2006 Barcelona BioMed Conference - A BBVA  Foundation and IRB Barcelona conference that will focus on the rapidly growing field of NMR structure-based drug discovery



The NMR in Drug Discovery conference will address the current status of the rapidly growing field of structure-based drug discovery and development using NMR and its implications in fundamental molecular biology issues. NMR is a multifaceted technique that is sensitive to both structure and dynamics and can monitor the binding of low molecular weight ligands to biological macromolecules in the early stages of drug discovery. The same concepts can be extended to the study of other instances of molecular recognition such as the use of small molecular tools in fundamental molecular biology studies or to the study of weak protein-protein interactions.

The Barcelona BioMed Conferences will bring together leading researchers to present and discuss breakthroughs in several fields of biomedicine. Each of these meetings will involve around 20 speakers, selected from among leading international researchers, and about 40 additional participants. IRB Barcelona strives to create a highly focused think-tank atmosphere for a small and select group of attendees. Registration is free and the participants will be selected on the basis of their scientific experience (deadline: Friday, September 15, 2006). Registration is now closed.

IRB Barcelona with the collaboration of the Banco Bilbao Vizcaya Argentaria Foundation (BBVA Foundation)


Conference Programme:

Thursday, October 19
Morning session (Chaired by Ernest Giralt)


Opening Remarks (Ernest Giralt)

NMR in protein-surface recognition
Ernest Giralt, Institute for Research in Biomedicine (IRB Barcelona) and University of Barcelona (Barcelona, Spain)

In-cell NMR spectroscopy as a tool for the investigation of protein–ligand interactions
Volker Dötsch, Institute for Biophysical Chemistry, University of Frankfurt (Frankfurt, Germany)

Coffee Break

STD-NMR analysis of ligand binding to G-protein coupled receptors (GPCRs) as a basis for the design of new ligands 
Bernd Meyer, Institute for Organic Chemistry, University of Hamburg (Hamburg, Germany)


Afternoon session (Chaired by Jesús Jiménez-Barbero)

The specific interaction of carbohydrates with proteins: Stereochemical, conformational, and dynamical implications of the binding processes
Jesús Jiménez-Barbero, Consejo Superior de Investigaciones Científicas, Centro de Investigaciones Biológicas (Madrid, Spain)

RNA structure-based drug discovery: Targeting the HIV-1 genome
Thomas L. James, School of Pharmacy, University of California, (San Francisco, CA, USA)

Coffee break

17.20 - cancelled
“Seeing” beyond the light: Novel NMR and MRI in biomedicine
Alexander Pines, Lawrence Berkeley National Laboratory, University of California (Berkeley, CA, USA)

Friday, October 20
Morning session (Chaired by Maurizio Pellecchia)

NMR-aided fragment-based drug design
Maurizio Pellecchia, The Burnham Institute (La Jolla, CA, USA)

3-FABS NMR coupled with a novel 1hr NMR quality control filter for generation of reliable inhibitors and meaningful SAR tables
Claudio Dalvit, Nerviano Medical Sciences (Nerviano, MI, Italy)
Coffee Break

New methods for speeding up multidimensional NMR data acquisition
Bernhard Brutscher, Institut de Biologie Structurale Jean-Pierre Ebel, CNRS-CEA-UJF (Grenoble, France)

New methods for NMR based drug design
Ulrich Günther, Scientific Director, HWB-NMR, University of Birmingham and Co-Founder of CheMetior (Birmingham, UK)


Afternoon session (Chaired by Nico van Nuland)

Linking structure to binding energetics: comparison of the binding of P41 to Spc-SH3 and Abl-SH3
Nico van Nuland, Science Faculty, Universidad de Granada (Granada, Spain)

NMR studies of protein interactions in tranlsation initiation and their inhibition
Gerhard Wagner, Harvard Medical School (Boston, MA, USA)

Saturday, October 21
Morning session (Chaired by Miquel Pons)
Knowledge-based screening using NMR and structural information
Miquel Pons, Institute for Research in Biomedicine (IRB Barcelona) and University of Barcelona (Barcelona, Spain)

NMR tools for structure guided drug development
Ichio Shimada, University of Tokyo (Tokyo, Japan)
Coffee Break

NMR spectroscopy used to study drug protein interactions
Christian Griesinger, Max-Planck-Institute for Biophysical Chemistry (Göttingen, Germany)

Closing remarks


IRB Barcelona headquarters and labs are located at the Barcelona Science Park (PCB, Parc Científic de Barcelona). The BARCELONA BIOMED CONFERENCE in NMR in Drug Discovery will be held in the  Fèlix Serratosa Hall at the Park.

Institute for Research in Biomedicine
Parc Científic de Barcelona
C. Josep Samitier, 1-5
08028 Barcelona, Spain
Tel: +34 93 403 7111
Fax: +34 93 403 7114

The Barcelona Science Park is located near the entrance to Barcelona via Avinguda Diagonal and very close to the FC Barcelona Stadium - Camp Nou.


How to get to IRB Barcelona at the Barcelona Science Park (PCB - Parc Científic de Barcelona)


There are several hotels close to the Barcelona Science Park. You can consult  here the list of some of them, or search for more options through an accomodation searcher.