Case Studies
Real science. Real impact.
A collection of success stories that showcase our science, our partnerships, and the impact we deliver together.
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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. -
Non-hydroxamate LpxC inhibitors
A Vernalis and Taisho collaboration used fragment and structure-based methods to deliver a non-hydroxamate LpxC inhibitor with antibacterial activity against P. aeruginosa.
Outcome Antibacterial lead that designs out the hydroxamate zinc-binding group and its selectivity risk. -
LRRK2 crystallographic surrogate
Vernalis engineered crystallographic surrogates of LRRK2 from Chk1 mutants, then used them to design a potent, brain-penetrant inhibitor with confirmed target engagement.
Outcome Target enablement — a crystallisable system, and a brain-penetrant inhibitor designed against it. -
PDHK — application of off-rate screening
SPR off-rate screening of unpurified reaction products drove rapid hit-to-lead progression to selective, sub-100 nM pan-isoform PDHK inhibitors.
Outcome Proprietary off-rate screening validated on a live programme, delivering sub-100 nM leads. -
Hsp90 phase II candidate
Fragment, virtual and medium-throughput screening produced NVP-AUY922, a well-tolerated Hsp90 inhibitor that progressed into global phase II trials.
Timeline Phase I entry 2007 to clinical proof of concept, April 2011.Outcome Clinical proof of concept, April 2011. -
Bcl-2 phase I clinical candidate
Structure-guided design produced S55746, an orally bioavailable and Bcl-2-selective inhibitor that spares platelets and reached phase I.
Outcome Phase I clinical candidate with a clean selectivity and tolerability profile. -
Mcl-1 in vivo active inhibitor
An NMR fragment screen and structure-guided design produced S63845, a specific, high-affinity Mcl-1 inhibitor with single-agent anti-tumour activity in vivo.
Outcome In vivo active inhibitor of a target long considered difficult to drug -
Chk1 pre-clinical application
Structure-guided fragment elaboration delivered V158411, a potent Chk1/Chk2 inhibitor that potentiates irinotecan without added systemic toxicity.
Outcome Pre-clinical candidate demonstrating combination efficacy without added toxicity.
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