Hit Identification Services
Multiple methods,
robust series
We have extensive experience of finding hits using target appropriate methodologies. From biochemical assays, DEL, ASMS, in silico screening and fragment-based drug discovery — an area in which we are recognised world-leaders. Starting with these techniques, singly or in combination, we have identified hits developed into leads and clinical candidates against a wide range of challenging drug targets.
How we find your hits
Our integrated hit identification services combine biophysical, biochemical, computational and DNA-encoded approaches to find high-quality starting points for any target.
Fragment Screening
Proprietary fragment libraries screened by NMR, SPR and X-ray crystallography to identify tractable hits for a wide range of targets.
- NMR screening: Ligand-Observed (1H: STD, water-LOGSY and relaxation-filtered; 19F: relaxation-filtered) and Protein-Observed (2D 1H-15N HSQC) NMR binding experiments
- SPR screening with Biacore T200, 1S+ and 8K: direct binding, affinity in solution, competition and co-operativity
- X-ray crystallographic screening for hit identification and binding mode
DEL & PAC-DEL
DNA Encoded Library and PAC-FragmentDEL screening require minimal protein and overcome conventional fragment screen limitations.
- PAC-FragmentDEL: photoactivated covalent capture of DNA-encoded fragments for novel hit detection
- DEL screening against diverse protein targets
- Hit validation by SPR, ligand-observed NMR and X-ray crystallography
Biochemical Assays
A full suite of biochemical assay technologies supports medium-throughput screening and hit validation across enzymatic and protein-protein interaction targets.
- TR-FRET, FRET, Fluorescence Polarization, AlphaScreen/AlphaLISA
- Enzymatic and protein-protein interaction assay development
- Medium-throughput biochemical screening and mechanistic studies
In Silico & Libraries
Computational and custom library approaches complement experimental screening to maximise hit identification efficiency.
- MTS screening library with 50k lead-like chemical space
- Custom kinase-focused library for biochemical and biophysical screening
- In silico virtual screening approaches
Integrated Drug Discovery
Turning discovery potential into clinical promise
We combine fragment screening, biochemical assays, computational methods and cutting-edge DEL technology to identify high-quality starting points for your drug discovery programme.
Biology Foundations
Structure & Hit ID
DEL Services
Chemistry & Data
Preclinical Readiness
Why work with us
Maximising high-quality hit rates
Our multi-method hit identification platform gives every programme the best possible chance of finding a tractable starting point. By combining fragment screening, DEL, biochemical assays and in silico methods — singly or in combination — we maximise hit rates and generate high-quality, diverse series for follow-up chemistry.
Meet the Hit ID Platform team:
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Hayley Angove DPhil
Senior Team Leader, Assay Technology
Hayley Angove DPhil
Senior Team Leader, Assay Technology
Dr. Hayley Angove joined Vernalis in 2014. As a seasoned analytical biochemist, Hayley brings over two decades of expertise to the field of early-stage drug discovery. Specializing in progressing novel targets through primary screening, Hayley employs a diverse array of biochemical assays and direct binding techniques. Career highlights include automating medium-throughput screening, designing screening campaigns, inhibitor mode-of action studies and coordinating multidisciplinary assay teams. Hayley is proficient in developing, optimizing, and validating various screening assays, including TR-FRET, FP, and coupled assays for fragment and drug-like libraries and in utilizing biophysics techniques such as MS, ITC, DSF, MS and DLS to accelerate drug development.
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James Murray PhD
Research Director and Joint Site Lead
James Murray PhD
Research Director and Joint Site Lead
Dr James Murray has been with Vernalis since 2001 having previously held research roles in the USA and Australia.
Throughout this period, James has guided the evolution of our approach to drug discovery, with a particular emphasis on the role of biophysics across a wide range of target classes. He co-led the discovery of multiple candidates in collaboration with pharma and biotech companies, most notably BH3 mimetics targeting Mcl-1 and Bcl-2. He has over 60 peer reviewed scientific papers and, 13 granted patents and more than 20 active patent applications. James champions an open and inclusive approach to the Vernalis research culture, which is reflected in how we collaborate.
Hit ID Case Studies
Explore how our integrated hit identification capabilities have delivered tractable leads for partners across a wide range of challenging drug targets.
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Hsp90 oral backup pre-clinical candidate
Fragment-based and in silico hits were combined into a novel series of Hsp90 inhibitors, delivering tumour growth regression on oral dosing in a BT474 xenograft model.
Outcome Oral pre-clinical candidate — the follow-on to the intravenous phase II compound. -
DYRK1A and DYRK1B selective inhibitors
A Vernalis and Servier NMR fragment screen delivered two series of potent, selective DYRK1A inhibitors, including the brain-penetrant tool compound 34.
Outcome Two optimised inhibitor series and a selective, brain-penetrant tool compound.
Find your next lead faster
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