Fragment-Based Drug Discovery
Finding the best starting points for drug discovery
Fragment-Based Drug Discovery (FBDD) is an area in which Vernalis has been recognised as a world leader. By screening low-molecular-weight fragments and growing them into high-quality lead series, we access regions of chemical space unreachable by traditional high-throughput screening. Our integrated FBDD platform combines proprietary libraries, multi-method detection and deep structural expertise.
Fragment campaigns, world-class results
Our FBDD platform integrates proprietary fragment library design, multi-method screening, structural characterisation and medicinal chemistry expertise to deliver tractable hits for the most challenging targets.
Fragment Library Design
Our proprietary fragment library has been carefully curated for quality, diversity and drug-likeness, covering a broad range of chemical space for screening any target.
- Proprietary fragment library designed for drug-likeness and chemical diversity
- Proprietary covalent fragment library for covalent hit identification
- Library continually updated based on screening experience and scientific insight
Multi-Method Screening
Our fragment screening services include multiple orthogonal biophysical methods to maximise hit rates and give confident identification of true binders.
- NMR screening: STD, water-LOGSY and 19F relaxation filtered experiments
- SPR fragment screening with Biacore T200, 1S+ and 8K: direct binding, affinity in solution, competition and co-operativity
- X-ray crystallographic screening for binding site and pose information
Structural Characterisation
Confirmed hits are structurally characterised to reveal binding site, mode and vector for elaboration — enabling rational, structure-guided design from the outset.
- Ligand-bound X-ray crystal structures for all confirmed fragment hits
- Binding site, stoichiometry and affinity determination by biophysics
- NMR-guided models of ligand-protein interactions
Fragment-to-Lead
Our medicinal and computational chemistry teams work hand-in-hand with structural biology to grow fragment hits into efficient, drug-like lead series.
- Fragment growing, merging and linking strategies guided by structural data
- Elaboration using off-rate libraries (ORL) and crude reaction mixtures (CRM)
- Multi-parameter optimisation from the earliest stage of hit development
Integrated Drug Discovery
Turning discovery potential into clinical promise
Our integrated FBDD platform combines proprietary fragment libraries, multi-method screening, world-class structural biology and expert medicinal chemistry to find the best starting points for drug discovery.
Biology Foundations
Structure & Hit ID
DEL Services
Chemistry & Data
Preclinical Readiness
Why work with us
World-leading fragment expertise, proven results
Vernalis is recognised as a world leader in fragment-based drug discovery. Our integrated FBDD platform — combining proprietary libraries, multi-method screening, world-class structural biology and expert medicinal chemistry — delivers the highest quality starting points and ensures that every fragment campaign gives the programme its best possible chance of success.
Meet the FBDD team:
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Andy Massey PhD
Head of Oncology and Cell Biology
Andy Massey PhD
Head of Oncology and Cell Biology
Dr Andy Massey is currently Head of Oncology and Cell Biology having joined Vernalis in 2002 after completing his PhD and post-doc with Cancer Research UK. His group focuses on the development and application of cellular assays to support and progress compounds from target validation to hit ID, and then through lead optimisation and into early pre-clinical development. He also has responsibility for managing the DEL screening activities at the Cambridge site. Additionally, he has co-led several drug discovery programs both internally (Hsp90 and Chk1) and for external collaborators leading to several clinical and preclinical candidates. He has authored over forty peer reviewed scientific publications.
FBDD Case Studies
Explore how our world-leading fragment-based lead discovery services have delivered tractable hits and efficient lead series for challenging drug targets across multiple therapeutic areas.
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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.
Build your next drug from the fragment up
We’d love to hear from you! Head to our contact page to get started.