Design, Quality and Validation of the EU-OPENSCREEN Fragment Library Poised to a High-Throughput Screening Collection
The Brenk lab has co-authored a paper describing the EU-Openscreen fragment library.
By: Ruth Brenk
Published: (Updated: )
The EU-OPENSCREEN (external link) (EU-OS) European Research Infrastructure Consortium (ERIC) is a multinational, not-for-profit initiative that integrates high-capacity screening platforms and chemistry groups across Europe to facilitate research in chemical biology and early drug discovery. EU-OS now also provides a fragment screening library (external link) (EFSL).
In this paper, we describe the computational design, quality control and use case screenings of the EFSL. Using EFSL, eight fragment screening campaigns using different structural and biophysical methods have successfully identified fragment hits in the last two years (three of them in the Brenk lab).
As one of the highlighted projects for antibiotics, the screening by Bio-Layer Interferometry (BLI) of the EFSL, the identification of a 35 µM fragment hit targeting the beta-ketoacyl-ACP synthase 2 (FabF), its binding confirmation to the protein by X-ray crystallography is also described.
This work was also carried out at UiB making use of instrumentation provided by BiSS. Collectively, this work highlights the power of EFSL for rapid hit identifaction and follow-up.
co-authors
- Vladyslav Yadrykhinsky, PhD Candidate, Faculty of Medicine
- Ruth Brenk, Professor, Associated member of the Computational Biology Unit, The Department of Biomedicine