Recent Publications


Pawsey, S.; Wood, M.; Browne, H.; Donaldson, K.; Christie, M.; Warrington, S. Safety, Tolerability and Pharmacokinetics of FAAH Inhibitor V158866: A Double-Blind, Randomised, Placebo-Controlled Phase I Study in Healthy Volunteers. Drugs R&D 2016, 16:181-191


Hubbard, R.E The role of fragment based discovery in lead finding in Fragment based drug discovery ed D. Erlanson and W. Jahnke, 2016, pp3-36 ISBN: 978-3-527-33775-0


Massey AJ, Stephens P, Rawlinson R, McGurk L, Plummer R, Curtin NJ. mTORC1 and DNA-PKcs as novel molecular determinants of sensitivity to Chk1 inhibition. Mol Oncol. 2016 10:101-12.


Massey, A. J. Multiparametric Cell Cycle Analysis Using the Operetta High-Content Imager and Harmony Software with PhenoLOGIC. PLoS One 2015, 10: e0134306  


Hubbard, R.E. FBLD applied to protein-protein interactions in RSC Fragment book edited by Howard and Abell 2015, pp126-152, DOI:10.1039/9781782620938-00126


Massey AJ, Stokes S, Browne H, Foloppe N, Fiumana A, Scrace S, Fallowfield M, Bedford S, Webb P, Baker L, Christie M, Drysdale MJ, Wood M. Identification of novel, in vivo active Chk1 inhibitors utilizing structure guided drug design. Oncotarget. 2015 6:35797-812.


Massey AJ. Multiparametric Cell Cycle Analysis Using the Operetta High-Content Imager and Harmony Software with PhenoLOGIC. PLoS One. 2015 10:e0134306.


Stocchi, F.; Vacca, L.; Grassini, P.; Pawsey, S.; Whale, H.; Marconi, S.; Torti, M. L-Dopa Pharmacokinetic Profile with Effervescent Melevodopa/Carbidopa versus Standard-Release Levodopa/Carbidopa Tablets in Parkinson's Disease: A Randomised Study. Parkinsons Disease 2015:369465


Massey, A. J.; Stokes, S.; Browne, H.; Foloppe, N.; Fiumana, A.; Scrace, S.; Fallowfield, M.; Bedford, S.; Webb, P.; Baker, L.; Christie, M.; Drysdale, M. J.; Wood, M. Identification of novel, in vivo active Chk1 inhibitors utilizing structure guided drug design. Oncotarget 2015, 6:35797-35812.


Luethy, M.; Wheldon, M. C.; Haji-Cheteh, C.; Atobe, M.; Bond, P. S.; O'Brien, P.; Hubbard, R. E.; Fairlamb, I. J. S. Lead-oriented synthesis: Investigation of organolithium-mediated routes to 3-D scaffolds and 3-D shape analysis of a virtual lead-like library. Bioorganic & medicinal chemistry 2015, 23:2680-2694.


Hubbard, R.E. Fragment based lead discovery in RSC Medicinal Chemistry Handbook, ed A. Davis and S Morley 2014, pp122-153 DOI:10.1039/9781782621836-00122


Bryant C, Rawlinson R, Massey AJ. Chk1 inhibition as a novel therapeutic strategy for treating triple-negative breast and ovarian cancers. BMC Cancer. 2014, 14:570.


Rawlinson R, Massey AJ. γH2AX and Chk1 phosphorylation as predictive pharmacodynamic biomarkers of Chk1 inhibitor-chemotherapy combination treatments. BMC Cancer. 2014, 14:483.


Ruiz-Carmona, S.; Alvarez-Garcia, D.; Foloppe, N.; Beatriz Garmendia-Doval, A.; Juhos, S.; Schmidtke, P.; Barril, X.; Hubbard, R. E.; Morley, S. D. rDock: A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids. PLoS computational biology 2014, 10:e1003571  


Moore, J. D.; Staniszewska, A.; Shaw, T.; D'Alessandro, J.; Davis, B.; Surgenor, A.; Baker, L.; Matassova, N.; Murray, J.; Macias, A.; Brough, P.; Wood, M.; Mahon, P. C. VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells. Oncotarget 2014, 5, 12862-12876.


Bryant, C.; Scriven, K.; Massey, A. J. Inhibition of the checkpoint kinase Chk1 induces DNA damage and cell death in human Leukemia and Lymphoma cells. Molecular Cancer 2014, 13:147.


Murray, J. B.; Roughley, S. D.; Matassova, N.; Brough, P. A. Off-Rate Screening (ORS) By Surface Plasmon Resonance. An Efficient Method to Kinetically Sample Hit to Lead Chemical Space from Unpurified Reaction Products. Journal of Medicinal Chemistry 2014, 57:2845-2850.


Rawlinson, R.; Massey, A. J. gamma H2AX and Chk1 phosphorylation as predictive pharmacodynamic biomarkers of Chk1 inhibitor-chemotherapy combination treatments. Bmc Cancer 2014, 14:483


Bryant, C.; Rawlinson, R.; Massey, A. J. Chk1 Inhibition as a novel therapeutic strategy for treating triple-negative breast and ovarian cancers. Bmc Cancer 2014, 14:570


Milner, S. J.; Snelling, A. M.; Kerr, K. G.; Abd-El-Aziz, A.; Thomas, G. H.; Hubbard, R. E.; Routledge, A.; Duhme-Klair, A.-K. Probing linker design in citric acid-ciprofloxacin conjugates. Bioorganic & medicinal chemistry 2014, 22: 4499-4505.


Moore, J. D. In the wrong place at the wrong time: does cyclin mislocalization drive oncogenic transformation? Nature Reviews Cancer 2013, 13:201-208.


Tabusa, H.; Brooks, T.; Massey, A. J. Knockdown of PAK4 or PAK1 Inhibits the Proliferation of Mutant KRAS Colon Cancer Cells Independently of RAF/MEK/ERK and PI3K/AKT Signaling. Molecular Cancer Research 2013, 11, 109-121.


Foloppe, N.; Gueroult, M.; Hartmann, B. Simulating DNA by molecular dynamics: aims, methods, and validation. Methods in molecular biology (Clifton, N.J.) 2013, 924:445-68.


Davis, B. Screening protein-small molecule interactions by NMR. Methods in molecular biology (Clifton, N.J.) 2013, 1008:389-413.


Lonsdale, R.; Houghton, K. T.; Zurek, J.; Bathelt, C. M.; Foloppe, N.; de Groot, M. J.; Harvey, J. N.; Mulholland, A. J. Quantum Mechanics/Molecular Mechanics Modeling of Regioselectivity of Drug Metabolism in Cytochrome P450 2C9. Journal of the American Chemical Society 2013, 135:8001-8015.


Moore, J. D.; Potter, A. Pin1 inhibitors: Pitfalls, progress and cellular pharmacology. Bioorganic & Medicinal Chemistry Letters 2013, 23:4283-4291.


Davis, B. J.; Erlanson, D. A. Learning from our mistakes: The 'unknown knowns' in fragment screening. Bioorganic & Medicinal Chemistry Letters 2013, 23:2844-2852.


Chen, I. J.; Foloppe, N. Tackling the conformational sampling of larger flexible compounds and macrocycles in pharmacology and drug discovery. Bioorganic & medicinal chemistry 2013, 21:7898-7920.


Meiby, E.; Simmonite, H.; le Strat, L.; Davis, B.; Matassova, N.; Moore, J. D.; Mrosek, M.; Murray, J.; Hubbard, R. E.; Ohlson, S. Fragment Screening by Weak Affinity Chromatography: Comparison with Established Techniques for Screening against HSP90. Analytical Chemistry 2013, 85:6756-6766.


Schulz, M. N.; Landstroem, J.; Hubbard, R. E. MTSA-A Matlab program to fit thermal shift data. Analytical Biochemistry 2013, 433:43-47.


Young, E. C.; Pawsey, S.; Woodcock, A.; Smith, J. A. An Open-Label Pilot Study of V3381, a Novel N-Methyl-D-Aspartate Receptor (NMDA-R) Antagonist in Chronic Cough. Lung 2012, 190:66-66.


Roughley, S.; Wright, L.; Brough, P.; Massey, A.; Hubbard, R. E. Hsp90 Inhibitors and Drugs from Fragment and Virtual Screening. In Fragment-Based Drug Discovery and X-Ray Crystallography, Davies, T. G.; Hyvonen, M., Eds. 2012;  317:61-82.


Stephens, P.; Massey, A.; Plummer, R.; Curtin, N. Single Agent Activity of the Novel Checkpoint 1 Kinase Inhibitor V158411. European Journal of Cancer 2012, 48:85-85.


Roughley, S. D.; Browne, H.; Macias, A. T.; Benwell, K.; Brooks, T.; D'Alessandro, J.; Daniels, Z.; Dugdale, S.; Francis, G.; Gibbons, B.; Hart, T.; Haymes, T.; Kennett, G.; Lightowler, S.; Matassova, N.; Mansell, H.; Merrett, A.; Misra, A.; Padfield, A.; Parsons, R.; Pratt, R.; Robertson, A.; Simmonite, H.; Tan, K.; Walls, S. B.; Wong, M. Fatty acid amide hydrolase inhibitors. 3: Tetra-substituted azetidine ureas with in vivo activity. Bioorganic & Medicinal Chemistry Letters 2012, 22:901-906.


Davies, N. G. M.; Browne, H.; Davis, B.; Drysdale, M. J.; Foloppe, N.; Geoffrey, S.; Gibbons, B.; Hart, T.; Hubbard, R.; Jensen, M. R.; Mansell, H.; Massey, A.; Matassova, N.; Moore, J. D.; Murray, J.; Pratt, R.; Ray, S.; Robertson, A.; Roughley, S. D.; Schoepfer, J.; Scriven, K.; Simmonite, H.; Stokes, S.; Surgenor, A.; Webb, P.; Wood, M.; Wright, L.; Brough, P. Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo 2,3-d pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization. Bioorganic & medicinal chemistry 2012, 20:6770-6789.


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