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FRAGNET

Fragnet


Conferences 

Fragment-based Lead Discovery Conference 2018
October 7 - 10, 2018 San Diego, California

 

Workshops Organized

15th EFMC Short Course on Medicinal Chemistry - Small Becomes Big in Medicinal Chemistry: Fragment-based Drug Discovery
April 28 - May 1, 2019 Oegstgeest, The Netherlands

 

Publications by PIs

2019

Raingeval, Claire, Olivier Cala, Béatrice Brion, Marc Le Borgne, Roderick Eliot Hubbard, and Isabelle Krimm. "1D NMR WaterLOGSY as an efficient method for fragment-based lead discovery." Journal of enzyme inhibition and medicinal chemistry 34, no. 1 (2019): 1218-1225.

Szlavik, Zoltan, Levente Ondi, Marton Csekei, Attila Paczal, Zoltan B. Szabo, Gabor Radics, James B. Murray et al. "The structure guided discovery of a selective Mcl-1 inhibitor with cellular activity." Journal of Medicinal Chemistry (2019).

Orgován, Zoltán, György G. Ferenczy, and György M. Keserű. "Fragment-Based Approaches for Allosteric Metabotropic Glutamate Receptor (mGluR) Modulators." Current Topics in Medicinal Chemistry 19, no. 19 (2019): 1768-1781.

Siegal, Gregg, and Philipp Selenko. "Cells, drugs and NMR." Journal of Magnetic Resonance 306 (2019): 202-212.

Glas, Marjolein, Eiso Ab, Johan Hollander, Gregg Siegal, Joen Luirink, and Iwan de Esch. "Interrogating the essential bacterial cell division protein FtsQ with fragments using target immobilized NMR screening (TINS)." International journal of molecular sciences 20, no. 15 (2019): 3684.

2018

Mortenson, Paul N., Daniel A. Erlanson, Iwan JP De Esch, Wolfgang Jahnke, and Christopher N. Johnson. "Fragment-to-Lead medicinal chemistry publications in 2017: Miniperspective." Journal of medicinal chemistry 62, no. 8 (2018): 3857-3872.

Boström, Jonas, Dean G. Brown, Robert J. Young, and György M. Keserü. "Expanding the medicinal chemistry synthetic toolbox." Nature Reviews Drug Discovery 17, no. 10 (2018): 709-727.

Szabó, György, Gyorgy I. Turos, Sándor Kolok, Monika Vastag, Zsuzsanna Sánta, Miklos Dekany, Gyorgy I. Levay et al. "Fragment based optimization of metabotropic glutamate receptor 2 (mGluR2) positive allosteric modulators in the absence of structural information." Journal of medicinal chemistry 62, no. 1 (2018): 234-246.

Firth, James D., and Peter O'Brien. "Lead-and Fragment-oriented Synthesis." In Chemical and Biological Synthesis, pp. 74-113. 2018.

Defelipe, Lucas A., Juan Pablo Arcon, Carlos P. Modenutti, Marcelo A. Marti, Adrián G. Turjanski, and Xavier Barril. "Solvents to Fragments to Drugs: MD Applications in Drug Design." Molecules 23, no. 12 (2018): 3269.

Erlanson, Daniel A., Ben J. Davis, and Wolfgang Jahnke. "Fragment-based drug discovery: advancing fragments in the absence of crystal structures." Cell chemical biology (2018).

Mortenson, Paul N., Daniel A. Erlanson, Iwan JP De Esch, Wolfgang Jahnke, and Christopher N. Johnson. "Fragment-to-Lead medicinal chemistry publications in 2017: Miniperspective." Journal of medicinal chemistry 62, no. 8 (2018): 3857-3872.

2017

Ruiz-Carmona, Sergio, Peter Schmidtke, F. Javier Luque, Lisa Baker, Natalia Matassova, Ben Davis, Stephen Roughley, James Murray, Rod Hubbard, and Xavier Barril. "Dynamic undocking and the quasi-bound state as tools for drug discovery." Nature chemistry 9, no. 3 (2017): 201.

Darby, John F., Masakazu Atobe, James D. Firth, Paul Bond, Gideon J. Davies, Peter O'Brien, and Roderick E. Hubbard. "Increase of enzyme activity through specific covalent modification with fragments." Chemical science 8, no. 11 (2017): 7772-7779.

Keserű, György M., and Michael M. Hann. "What is the future for fragment-based drug discovery?." (2017): 1457-1460.

Williams, Glyn, György G. Ferenczy, Johan Ulander, and György M. Keserű. "Binding thermodynamics discriminates fragments from druglike compounds: a thermodynamic description of fragment-based drug discovery." Drug Discovery Today 22, no. 4 (2017): 681-689.

Darby, John F., Masakazu Atobe, James D. Firth, Paul Bond, Gideon J. Davies, Peter O'Brien, and Roderick E. Hubbard. "Increase of enzyme activity through specific covalent modification with fragments." Chemical science 8, no. 11 (2017): 7772-7779.

Davis, Ben J., and Stephen D. Roughley. "Fragment-based lead discovery." In Annual Reports in Medicinal Chemistry, vol. 50, pp. 371-439. Academic Press, 2017.

2016

Kuhne, Sebastiaan, Albert J. Kooistra, Reggie Bosma, Andrea Bortolato, Maikel Wijtmans, Henry F. Vischer, Jonathan S. Mason, Chris de Graaf, Iwan JP de Esch, and Rob Leurs. "Identification of ligand binding hot spots of the histamine H1 receptor following structure-based fragment optimization." Journal of medicinal chemistry 59, no. 19 (2016): 9047-9061.

Erlanson, Daniel A., Stephen W. Fesik, Roderick E. Hubbard, Wolfgang Jahnke, and Harren Jhoti. "Twenty years on: the impact of fragments on drug discovery." Nature reviews Drug discovery 15, no. 9 (2016): 605. Hubbard, Roderick E. "The role of fragment-based discovery in lead finding." Fragment‐based Drug Discovery Lessons and Outlook (2016): 1-36.

Ferenczy, György G., and György M. Keserű. "On the enthalpic preference of fragment binding." MedChemComm 7, no. 2 (2016): 332-337.

Kelemen, Ádám A., Róbert Kiss, György G. Ferenczy, László Kovács, Beáta Flachner, Zsolt Lőrincz, and György M. Keserű. "Structure-based consensus scoring scheme for selecting class A aminergic GPCR fragments." Journal of chemical information and modeling 56, no. 2 (2016): 412-422.

Keserű, György M., Daniel A. Erlanson, György G. Ferenczy, Michael M. Hann, Christopher W. Murray, and Stephen D. Pickett. "Design principles for fragment libraries: maximizing the value of learnings from pharma fragment-based drug discovery (FBDD) programs for use in academia." Journal of medicinal chemistry 59, no. 18 (2016): 8189-8206.

Johnson, Christopher N., Daniel A. Erlanson, Christopher W. Murray, and David C. Rees. "Fragment-to-Lead medicinal chemistry publications in 2015: Miniperspective." Journal of medicinal chemistry 60, no. 1 (2016): 89-99.

Contact details

Please contact us at:
info@fragnet.eu

FRAGNET Coordinator
VU University Amsterdam
The Netherlands



Funded by

marie curie actions   Marie Curie Actions

 

 

unnamed   
EU Horizon 2020

 

 

european union logo   European Union