Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection

Xavier Jalencas, Hannes Berg, Ludvik Olai Espeland, Sridhar Sreeramulu, Franziska Kinnen, Christian Richter, Charis Georgiou, Vladyslav Yadrykhinsky, Edgar Specker, Kristaps Jaudzems, Tanja Miletić, Robert Harmel, Phil Gribbon, Harald Schwalbe, Ruth Brenk, Aigars Jirgensons, Andrea Zaliani and Jordi Mestres

RSC Med. Chem., 2024, 15, 1176
DOI: 10.1039/D3MD00724C

Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor

Iacovos N. Michaelides, Gavin W. Collie, Ulf Börjesson, Christina Vasalou, Omar Alkhatib, Louise Barlind, Tony Cheung, Ian L. Dale, Kevin J. Embrey, Edward J. Hennessy, Puneet Khurana, Cheryl M. Koh, Michelle L. Lamb, Jianming Liu, Thomas A. Moss, Daniel J. O’Neill, Christopher Phillips, Joseph Shaw, Arjan Snijder, R. Ian Storer, Christopher J. Stubbs, Fujin Han, Chengzhi Li, Jingchuan Qiao, Dong-Qing Sun, Jingwen Wang, Peng Wang and Wenzhen Yang

J. Med. Chem., 2023, 66, 8782
DOI: 10.1021/acs.jmedchem.3c00401

Design and Evaluation of a Low Hydrogen Bond Donor Count Fragment Screening Set to Aid Hit Generation of PROTACs Intended for Oral Delivery

Benjamin C. Whitehurst, Matthias R. Bauer, Fredrik Edfeldt, Anders Gunnarsson, Christian Margreitter, Philip B. Rawlins and R. Ian Storer

J. Med. Chem., 2023, 66, 7594
DOI: 10.1021/acs.jmedchem.3c00493

Affinity measurement of strong ligands with NMR spectroscopy: Limitations and ways to overcome them

Claudio Dalvit, Isabel Gmür, Philip Rößler and Alvar D. Gossert

Progress in Nuclear Magnetic Resonance Spectroscopy, 2023, 138-139, 52
DOI: 10.1016/j.pnmrs.2023.07.001

Structure-Based Optimization of a Series of Covalent, Cell Active Bfl-1 Inhibitors

Simon C. C. Lucas, J. Henry Blackwell, Ulf Börjesson, David Hargreaves, Alexander G. Milbradt, Mark J. Bostock, Samiyah Ahmed, Kevin Beaumont, Tony Cheung, Sylvain Demanze, Andrea Gohlke, Carine Guerot, Afreen Haider, Vasudev Kantae, Gregory W. Kauffman, Olaf Kinzel, Lea Kupcova, Michael D. Lainchbury, Michelle L. Lamb, Leonardo Leon, Adeline Palisse, Claudia Sacchetto, R. Ian Storer, Nancy Su, Clare Thomson, John Vales, Yunhua Chen and Xiaolong Hu

J. Med. Chem., 2024, 67, 16455
DOI: 10.1021/acs.jmedchem.4c01288

Macromolecular crystallography from an industrial perspective – the impact of synchrotron radiation on structure-based drug discovery

H. Käck and T. Sjögren

J Synchrotron Rad, 2025, 32, 294
DOI: 10.1107/S1600577524012281

Covalent hits and where to find them

Simon C.C. Lucas, J. Henry Blackwell, Sarah H. Hewitt, Hannah Semple, Benjamin C. Whitehurst and Hua Xu

SLAS Discovery, 2024, 29, 100142
DOI: 10.1016/j.slasd.2024.01.003

E3 Ligases Meet Their Match: Fragment-Based Approaches to Discover New E3 Ligands and to Unravel E3 Biology

Iacovos N. Michaelides and Gavin W. Collie

J. Med. Chem., 2023, 66, 3173
DOI: 10.1021/acs.jmedchem.2c01882

Fragment-to-Lead Medicinal Chemistry Publications in 2022

Andrew J. Woodhead, Daniel A. Erlanson, Iwan J. P. de Esch, Rhian S. Holvey, Wolfgang Jahnke and Puja Pathuri

J. Med. Chem., 2024, 67, 2287
DOI: 10.1021/acs.jmedchem.3c02070

Hit me with your best shot: Integrated hit discovery for the next generation of drug targets

S. Neha Ashraf, J. Henry Blackwell, Geoffrey A. Holdgate, Simon C.C. Lucas, Alisa Solovyeva, R. Ian Storer and Benjamin C. Whitehurst

Drug Discovery Today, 2024, 29, 104143
DOI: 10.1016/j.drudis.2024.104143