Publications & Presentations


The following 10 selected publications from the past 3 years illustrate the innovative methods for drug discovery developed at Vernalis and their successful application:

Selected publication highlights are:




Casara, P.; Davidson, J.; Claperon, A.; Le Toumelin-Braizat, G.; Vogler, M.; Bruno, A.; Chanrion, M.; Lysiak-Auvity, G.; Le Diguarher, T.; Starck, J. B.; Chen, I.; Whitehead, N.; Graham, C.; Matassova, N.; Dokurno, P.; Pedder, C.; Wang, Y.; Qiu, S.; Girard, A. M.; Schneider, E.; Grave, F.; Studeny, A.; Guasconi, G.; Rocchetti, F.; Maiga, S.; Henlin, J. M.; Colland, F.; Kraus-Berthier, L.; Le Gouill, S.; Dyer, M. J. S.; Hubbard, R.; Wood, M.; Amiot, M.; Cohen, G. M.; Hickman, J. A.; Morris, E.; Murray, J.; Geneste, O. S55746 is a novel orally active BCL-2 selective and potent inhibitor that impairs hematological tumor growth. Oncotarget 2018, 9, 20075-20088.


Williamson, D. S.; Smith, G. P.; Acheson-Dossang, P.; Bedford, S. T.; Chell, V.; Chen, I. J.; Daechsel, J. C. A.; Daniels, Z.; David, L.; Dokurno, P.; Hentzer, M.; Herzig, M. C.; Hubbard, R. E.; Moore, J. D.; Murray, J. B.; Newland, S.; Ray, S. C.; Shaw, T.; Surgenor, A. E.; Terry, L.; Thirstrup, K.; Wang, Y.; Christensen, K. V. Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1). J Med Chem 2017, 60, 8945-8962.


Massey, A. J. A high content, high throughput cellular thermal stability assay for measuring drug-target engagement in living cells. PLoS One 2018, 13, e0195050.


Ruiz-Carmona, S.; Schmidtke, P.; Luque, F. J.; Baker, L.; Matassova, N.; Davis, B.; Roughley, S.; Murray, J.; Hubbard, R.; Barril, X. Dynamic undocking and the quasi-bound state as tools for drug discovery. Nat Chem 2017, 9, 201-206.


Brough, P. A.; Baker, L.; Bedford, S.; Brown, K.; Chavda, S.; Chell, V.; D'Alessandro, J.; Davies, N. G.; Davis, B.; Le Strat, L.; Macias, A. T.; Maddox, D.; Mahon, P. C.; Massey, A. J.; Matassova, N.; McKenna, S.; Meissner, J. W.; Moore, J. D.; Murray, J. B.; Northfield, C. J.; Parry, C.; Parsons, R.; Roughley, S. D.; Shaw, T.; Simmonite, H.; Stokes, S.; Surgenor, A.; Stefaniak, E.; Robertson, A.; Wang, Y.; Webb, P.; Whitehead, N.; Wood, M. Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase. J Med Chem 2017, 60, 2271-2286.


Renaud, J. P.; Chung, C. W.; Danielson, U. H.; Egner, U.; Hennig, M.; Hubbard, R. E.; Nar, H. Biophysics in drug discovery: impact, challenges and opportunities. Nat Rev Drug Discov 2016, 15, 679-698.


Kotschy, A.; Szlavik, Z.; Murray, J.; Davidson, J.; Maragno, A. L.; Le Toumelin-Braizat, G.; Chanrion, M.; Kelly, G. L.; Gong, J. N.; Moujalled, D. M.; Bruno, A.; Csekei, M.; Paczal, A.; Szabo, Z. B.; Sipos, S.; Radics, G.; Proszenyak, A.; Balint, B.; Ondi, L.; Blasko, G.; Robertson, A.; Surgenor, A.; Dokurno, P.; Chen, I.; Matassova, N.; Smith, J.; Pedder, C.; Graham, C.; Studeny, A.; Lysiak-Auvity, G.; Girard, A. M.; Grave, F.; Segal, D.; Riffkin, C. D.; Pomilio, G.; Galbraith, L. C.; Aubrey, B. J.; Brennan, M. S.; Herold, M. J.; Chang, C.; Guasconi, G.; Cauquil, N.; Melchiore, F.; Guigal-Stephan, N.; Lockhart, B.; Colland, F.; Hickman, J. A.; Roberts, A. W.; Huang, D. C.; Wei, A. H.; Strasser, A.; Lessene, G.; Geneste, O. The MCL1 inhibitor S63845 is tolerable and effective in diverse cancer models. Nature 2016, 538, 477-482.


Foloppe, N.; Chen, I. J. Towards understanding the unbound state of drug compounds: Implications for the intramolecular reorganization energy upon binding. Bioorg Med Chem 2016, 24, 2159-2189.


Wayne, J.; Brooks, T.; Massey, A. J. Inhibition of Chk1 with the small molecule inhibitor V158411 induces DNA damage and cell death in an unperturbed S-phase. Oncotarget 2016, 7, 85033-85048.


Erlanson, D. A.; Fesik, S. W.; Hubbard, R. E.; Jahnke, W.; Jhoti, H. Twenty years on: the impact of fragments on drug discovery. Nat Rev Drug Discov 2016, 15, 605-619.


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