{"id":102,"date":"2021-10-14T12:39:24","date_gmt":"2021-10-14T11:39:24","guid":{"rendered":"https:\/\/newmedicinesprosperitypartnership.ac.uk\/?page_id=102"},"modified":"2024-12-13T16:40:58","modified_gmt":"2024-12-13T16:40:58","slug":"publications","status":"publish","type":"page","link":"https:\/\/newmedicinesprosperitypartnership.ac.uk\/?page_id=102","title":{"rendered":"Publications"},"content":{"rendered":"\n

To date, over 80 peer-reviewed research articles and a book chapter have been published \u00a0based on research carried out as part of our collaborative projects.<\/p>\n\n\n\n

2025<\/h3>\n\n\n\n
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85. Optimisation of Additively Manufactured Coiled Flow Inverters for Continuous Viral Inactivation Processes<\/a>, Maria Cecilia Barrera, Damien Leech, Aleksandar Josifovic, Anita Tolouei, Gareth Alford, Martin J. Wallace, Nicholas Bennett, Ricky Wildman, Derek J. Irvine, Anna Croft, Ender \u00d6zcan, Alastair Florence, Blair Johnston, John Robertson, and Cameron J. Brown, Chem. Eng. Res. Des.<\/em>, 2025<\/strong>, 213<\/em>, 126-136.<\/p>\n<\/div><\/div>\n\n\n\n

2024<\/h3>\n\n\n\n
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84. An Electrosynthesis of 1,3,4-Oxadiazoles from N<\/em>-Acyl Hydrazones<\/a>, Luke Chen, James D. F. Thompson, and Craig Jamieson, Chem. Eur. J.<\/em>, 2024<\/strong>, e202403128.<\/p>\n<\/div><\/div>\n\n\n\n

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83. \u00a0Optimization of Potent and Selective Cyclohexyl Acid ERAP1 Inhibitors Using Structure- and Property-Based Drug Design<\/a>, Ross P. Hryczanek, Andrew S. Hackett, Paul Rowland, Chun-wa Chung, M\u00e1ire A. Convery, Duncan S. Holmes, Jonathan P. Hutchinson, Semra Kitchen, Justyna Korczynska, Robert P. Law, Jonathan D. Lea, John Liddle, Richard Lonsdale, Margarete Neu, Leng Nickels, Alex Phillipou, James E. Rowedder, Jessica L. Schneck, Paul Scott-Stevens, Hester Sheehan, Chloe L. Tayler, Ioannis Temponeras, Christopher P. Tinworth, Ann L. Walker, Justyna Wojno-Picon, Robert J. Young, David M. Lindsay, and Efstratios Stratikos, ACS Med. Chem. Lett.<\/em>, 2024<\/strong>, 15<\/em>, 2107-2114.<\/p>\n<\/div><\/div>\n\n\n\n

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82. \u00a0bbSelect – An Open-Source Tool for Performing a 3D Pharmacophore-Driven Diverse Selection of R-Groups<\/a>, Francesco Rianjongdee, David Palmer, Stephen D. Pickett, Peter Pog\u00e1ny, Nicholas C. O. Tomkinson, and Darren V. S. Green, J. Chem. Inf. Model.<\/em>, 2024<\/strong>, 64<\/em>, 4687-4699.<\/p>\n<\/div><\/div>\n\n\n\n

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81. \u00a0Solvent Flashcards: A Visualisation Tool for Sustainable Chemistry<\/a>, Joseph Heeley, Samuel Boobier, and Jonathan D. Hirst, J. Cheminf<\/em>., 2024<\/strong>, 16<\/em>, Article 60.<\/p>\n<\/div><\/div>\n\n\n\n

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80. \u00a0A mechanistic investigation of the N<\/em>-hydroxyphthalimide catalyzed benzylic oxidation mediated by sodium chlorite<\/a>, Thomas Grunshaw, Susanna H. Wood, Stephen Sproules, Andrew Parrott, Alison Nordon, Peter D. P. Shapland, Katherine M. P. Wheelhouse, and Nicholas C. O. Tomkinson, J. Org. Chem<\/em>., 2024<\/strong>, 89<\/em>,7933\u20137945.<\/p>\n<\/div><\/div>\n\n\n\n

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79. \u00a0Investigations into the Radical Cascade Route to a Spiro-Azaindane<\/a>. Chelsea D. Grace, Simon Nicolle, and John A. Murphy,\u00a0Arkivoc<\/em>,\u00a02024<\/strong>, 202312115.<\/p>\n<\/div><\/div>\n\n\n\n

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78. \u00a0Development of a Horizontal Dynamically Mixed Flow Reactor for Laboratory Scale-Up of Photochemical Wohl\u2013Ziegler Bromination<\/a>, Cassie Pratley, Youssef Shaalan, Lee Boulton, Craig Jamieson, John A. Murphy, and Lee J. Edwards, Org. Process Res. Dev.<\/em>, 2024<\/strong>, 28<\/em>, 1725\u20131733.<\/p>\n<\/div><\/div>\n\n\n\n

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77. \u00a0Organometallic Bridge Diversification of Bicyclo[1.1.1]pentanes<\/a>. Joseph M. Anderson, Darren L. Poole, Gemma C. Cook, John A. Murphy, and Nicholas D. Measom,\u00a0Chem. Eur. J.<\/em>,\u00a02024<\/strong>, 30<\/em>, article number: e202304070.<\/p>\n<\/div><\/div>\n\n\n\n

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76. \u00a0Ground State Generation and Cyclization of Aminium Radicals in the Formation of Tetrahydroquinolines<\/a>, Cassie Pratley, Sabine Fenner, and John A. Murphy, Org. Lett.<\/em>, 2024<\/strong>, 26<\/em>, 1287\u20131292.<\/p>\n<\/div><\/div>\n\n\n\n

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75. \u00a0Synthesis of 2,6-trans<\/em>-Tetrahydropyrans Using a Palladium-Catalyzed Oxidative Heck Redox-Relay Strategy<\/a>. Holly E. Bonfield, Colin M. Edge, Marc Reid, Alan R. Kennedy, David D. Pascoe, David M. Lindsay, and Damien Valette,\u00a0Org. Lett.<\/em>,\u00a02024<\/strong>, 26, 2857-2861.<\/p>\n<\/div><\/div>\n\n\n\n

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74. \u00a0Copper-mediated N-Trifluoromethylation of O-Benzoylhydroxylamines<\/a>. Thomas D. Fleetwood, William J. Kerr, and Joseph Mason,\u00a0Chem. Eur. J.<\/em>,\u00a02024<\/strong>, 30<\/em>, article number: e202303314.<\/p>\n<\/div><\/div>\n\n\n\n

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73. \u00a0Bridge Heteroarylation of Bicyclo[1.1.1]pentane Derivatives<\/a>, Joseph M. Anderson, Nicholas D. Measom, John A. Murphy, and Darren L. Poole, Org. Lett.<\/em>, 2023<\/strong>, 25<\/em>, 2053-2057.<\/p>\n<\/div><\/div>\n\n\n\n

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72. \u00a0Reactive Fragments Targeting Carboxylate Residues Employing Direct to Biology, High-Throughput Chemistry<\/a>, Ross P. Thomas, Emma K. Grant, Eleanor R. Dickinson, Francesca Zappacosta, Lee J. Edwards, Michael M. Hann, David House, Nicholas C. O. Tomkinson, and Jacob T. Bush, RSC Med. Chem.<\/em>, 2023<\/strong>, 14<\/em>, 671-679.<\/p>\n<\/div><\/div>\n\n\n\n

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71. Efficient Ligand Discovery Using Sulfur(VI) Fluoride Reactive Fragments<\/a>, Arron Aatkar, Aini Vuorinen, Oliver E. Longfield, Katharine E. Gilbert, Rachel Peltier-Heap, Craig D. Wagner, Francesca Zappacosta, Katrin Rittinger, Chun-Wa Chung, David House, Nicholas C. O. Tomkinson, and Jacob T. Bush, ACS Chem. Biol.<\/em>, 2023<\/strong>, 18<\/em>, 1926-1937.<\/p>\n<\/div><\/div>\n\n\n\n

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70. \u00a0Experimental and Computational Insights into the Mechanism of the Copper(I)-catalysed Sulfonylative Suzuki-Miyaura Reaction<\/a>.\u00a0 Hall, C. G. J.; Sneddon, H. F.; Pogany, P.; Lindsay, D. M.; Kerr, W. J.\u00a0Chem. Sci<\/em>.,\u00a02023<\/strong>,\u00a024<\/em>, 6738-6755.\u00a0<\/p>\n<\/div><\/div>\n\n\n\n

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69. \u00a0Robust and General Late-Stage Methylation of Aryl Chlorides: Application to Isotopic Labeling of Drug-like Scaffolds<\/a>.\u00a0 Davenport, E.; Negru, D. E.; Badman, G.; Lindsay, D. M.; Kerr, W. J. ACS Catal.<\/em>, 2023<\/strong>, 13<\/em>, 11541-11547.<\/p>\n<\/div><\/div>\n\n\n\n

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68. Integrated Direct-to-Biology Platform for the Nanoscale Synthesis and Biological Evaluation of PROTACs<\/a>, Rebecca Stevens, Enrique Bendito-Moll, David J. Battersby, Afjal H. Miah, Justyna M. Macina, Glenn A. Burley, and John D. Harling, J. Med. Chem.<\/em>, 2023<\/strong>, 66<\/em>, 15437-15452.<\/p>\n<\/div><\/div>\n\n\n\n

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67. Antibody-Proteolysis Targeting Chimera Conjugate Enables Selective Degradation of Receptor-Interacting Serine\/Threonine-Protein Kinase 2 in HER2+ Cell Lines<\/a>, Karina Chan, Preethi Soundarya Sathyamurthi, Markus A. Queisser, Michael Mullin, Harry Shrives, Diane M. Coe, and Glenn A. Burley, Bioconjugate Chem.<\/em>, 2023<\/strong>, 34<\/em>, 2049-2054.<\/p>\n<\/div><\/div>\n\n\n\n

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66. \u00a0\u00a0Structure-Guided Design of a Domain-Selective Bromodomain and Extra Terminal (BET) N-Terminal Bromodomain Chemical Probe.\u00a0<\/a>\u00a0Erin Bradley, Lucia Fusani, Chun-wa Chung, Peter D. Craggs, Emmanuel H. Demont, Philip G. Humphreys, Darren J. Mitchell, Alex Phillipou, Inmaculada Rioja, Rishi R. Shah, Christopher R. Wellaway, Rab K. Prinjha, David S. Palmer, William J. Kerr, Marc Reid, Ian D. Wall, and Rosa Cookson,\u00a0J. Med. Chem<\/em>.,\u00a02023<\/strong>, 66<\/em>, 15728-15749.<\/p>\n<\/div><\/div>\n\n\n\n

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65. Covalent Targeting of Non-Cysteine Residues in PI4KIIIb<\/a>, Brett Cosgrove, Emma K. Grant, Sophie Bertrand, Kenneth D. Down, Don O. Somers, John P. Evans, Nicholas C. O. Tomkinson, and Michael D. Barker, RSC Chem. Biol.<\/em>, 2023<\/strong>, 4<\/em>, 1111-1122.<\/p>\n<\/div><\/div>\n\n\n\n

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64. Automated LC-MS Analysis and Data Extraction for High-Throughput Chemistry<\/a>, Joseph Mason, Harry Wilders, David J. Fallon, Ross P. Thomas, Jacob T. Bush, Nicholas C. O. Tomkinson, and Francesco Rianjongdee, Digital Discovery<\/em>, 2023<\/strong>, 2<\/em>, 1894-1899.<\/p>\n<\/div><\/div>\n\n\n\n

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63. Photoaffinity Labelling Displacement Assay Using Multiple Recombinant Protein Domains<\/a>, David J. Fallon, Alex Phillipou, Christopher J. Schofield, David House, Nicholas C. O. Tomkinson, and Jacob T. Bush, Biochem. J.<\/em>, 2023<\/strong>, 480<\/em>, 1183-1197.<\/p>\n<\/div><\/div>\n\n\n\n

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62. AI4Green: An Open-Source ELN for Green and Sustainable Chemistry<\/a>. Boobier, S.; Davies, J. C.; Derbenev, I. N.; Handley, C. M.; Hirst, J. D. J. Chem. Inf. Mod<\/em>., 2023<\/strong>, 63<\/em>, 2895\u20132901.<\/p>\n<\/div><\/div>\n\n\n\n

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61. Peracid Oxidation of Unactivated sp3<\/sup> C\u2212H Bonds: An Important Solvent Effect<\/a>. Maciuk, S.; Wood, S. H.; Patel, V. K.; Shapland, P. D. P.; Tomkinson, N. C. O. Chem. Eur. J.<\/em>, 2023<\/strong>, e202204007.<\/p>\n<\/div><\/div>\n\n\n\n

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60. Profiling Sulfur(VI) Fluorides as Reactive Functionalities for Chemical Biology Tools and Expansion of the Ligandable Proteome<\/a>. Gilbert, K. E.; Vuorinen, V.; Aatkar, A.; Pog\u00e1ny, P.; Pettinger, J.; Grant, E. K.; Kirkpatrick, J. M.; Rittinger, K.; House, D.; Burley, G. A.; Bush, J. T. ACS Chem. Biol.<\/em>, 2023<\/strong>, 18<\/em>, 285-295.<\/p>\n<\/div><\/div>\n\n\n\n

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59. Accurately Predicting Solvation Free Energy in Aqueous and Organic Solvents Beyond 298 K by Combining Deep Learning and the 1D Reference Interaction Site Model<\/a>. Fowles, D. J.; McHardy, R. G.; Ahmad, A.; Palmer, D. S. Digital Discovery<\/em>, 2023<\/strong>, 2<\/em>, 177-188.<\/p>\n<\/div><\/div>\n\n\n\n

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58. A Scalable Synthesis of Chiral Himbert Diene Ligands for Asymmetric Catalysis<\/a>. Rit, R. K.; Li, H.; Argent, S. P.; Wheelhouse, K. M.; Woodward, S.; Lam, H. W. Adv. Synth. Catal.<\/em>, 2023<\/strong>, 365<\/em>, 1629-1639.<\/p>\n<\/div><\/div>\n\n\n\n

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57. Blinded Predictions and Post Hoc Analysis of the Second Solubility Challenge Data: Exploring Training Data and Feature Set Selection for Machine and Deep Learning Models<\/a>. Conn, J. G. M.; Carter, J. W.; Conn, J. J. A.; Subramanian, V.; Baxter, A.; Engkvist, O.; Llinas, A.; Ratkova, E. L.; Pickett, S. D.; McDonagh, J. L.; Palmer, D. S. J. Chem. Inf. Model.<\/em>, 2023<\/strong>, 63<\/em>, 1099-1113.<\/p>\n<\/div><\/div>\n\n\n\n

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56. Solvation Entropy, Enthalpy and Free Energy Prediction Using a Multi-Task Deep Learning Functional in 1D-RISM<\/a>. Fowles, D. J.; Palmer, D. S. Phys. Chem. Chem. Phys.<\/em>, 2023<\/strong>, 25<\/em>, 6944-6954.<\/p>\n<\/div><\/div>\n\n\n\n

2022<\/h3>\n\n\n\n
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55. Free energy perturbation calculations of tetrahydroquinolines complexed to the first bromodomain of BRD4<\/a>. Silva, A. F.; Guest, E. E.; Falcone, B. N.; Pickett, S. D.; Rogers, D. M.; Hirst, J. D. Mol. Phys.<\/em>, 2022<\/strong>, 120<\/em>, e2124201.<\/p>\n<\/div><\/div>\n\n\n\n

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54. N<\/em>-Hydroxyethyl Acrylamide as a Functional eROP Initiator for the Preparation of Nanoparticles Under \u201cGreener\u201d Reaction Conditions<\/a>. Lentz, J. C.; Cavanagh, R.; Moloney, C.; Pin, B. F.; Korsten, K.; Fowler, H. R.; Jacob, P. L.; Krumins, E.; Clark, C.; Machado, F.; Breitkreuz, N.; Cale, B.; Goddard, A. R.; Hirst, J. D.; Taresco, V.; Howdle, S. M. Polym. Chem.<\/em>, 2022<\/strong>, 13<\/em>, 6032-6045.<\/p>\n<\/div><\/div>\n\n\n\n

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53. Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432<\/a>. Humphreys, P. G.; Anderson, N. A.; Bamborough, P.; Baxter, A.; Chung, C.-W.; Cookson, R.; Craggs, P. D.; Dalton, T.; Fournier, J. C. L.; Gordon, L. J.; Gray, H. F.; Gray, M. W.; Gregory, R.; Hirst, D. J.; Jamieson, C. ; Jones, K. L.; Kessedjian, H.; Lugo, D.; McGonagle, G.; Patel, V. K.; Patten, C.; Poole, D. L.; Prinjha, R. K.; Ramirez-Molina, C.; Rioja, I.; Seal, G.; Stafford, K. A. J.; Shah, R. S.; Tape, D.; Theodolou, N. H.; Tomlinson, L.; Ukuser, S.; Wall, I. D.; Wellaway, N.; White, G. J. Med. Chem.<\/em>, 2022<\/strong>, 65<\/em>, 15174-15207.<\/p>\n<\/div><\/div>\n\n\n\n

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52. Electrochemical Synthesis of Isoxazolines: Method and Mechanism<\/a>. Holman, S. D. L.; Wills, A. G.; Fazakerly, N. J.; Poole, D. L.; Coe, D. M.; Berlouis, L. A.; Reid, M. Chem. Eur. J.<\/em>, 2022<\/strong>, 28<\/em>, e202103728.<\/p>\n<\/div><\/div>\n\n\n\n

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51. Machine Learnt Patterns in Rhodium-catalysed Asymmetric Michael Addition Using Chiral Diene Ligands<\/a>. Owen, B.; Wheelhouse, K. M.; Figueredo, G.; \u00d6zcan, E.; Woodward, S. Results Chem.<\/em>, 2022<\/strong>, 4<\/em>, 100379.<\/p>\n<\/div><\/div>\n\n\n\n

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50. Highly Selective \u03b1-Aryloxyalkyl C\u2013H Functionalisation of Aryl Alkyl Ethers<\/a>. Bell, J. D.; Robb, I.; Murphy, J. A. Chem. Sci.<\/em>, 2022<\/strong>, 13<\/em>, 12921-12926.<\/p>\n<\/div><\/div>\n\n\n\n

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49. <\/a>Software Tools for Green and Sustainable Chemistry<\/a>. Derbenev, I. N.; Dowden, J.; Twycross, J.; Hirst, J. D. Curr. Opin. Green Sustainable Chem.<\/em>, 2022<\/strong>, 35<\/em>, 100623.<\/p>\n<\/div><\/div>\n\n\n\n

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48. Alchemical Free Energy Methods Applied to Complexes of the First Bromodomain of BRD4<\/a>. Guest, E. E.; Cervantes, L. F.; Pickett, S. D.; Brooks III, C. L.; Hirst, J. D. J. Chem. Inf. Model.<\/em>, 2022<\/strong>, 62<\/em>, 1458-1470.<\/p>\n<\/div><\/div>\n\n\n\n

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47. Replacement of Less-Preferred Dipolar Aprotic and Ethereal Solvents in Synthetic Organic Chemistry with More Sustainable Alternatives<\/a>. Jordan, A.; Hall, C. G. J.; Thorp, L. R.; Sneddon, H. F. Chem. Rev.<\/em>, 2022<\/strong>, 122<\/em>, 6749-6794.<\/p>\n<\/div><\/div>\n\n\n\n

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46. Modular Synthesis of a,a-Diaryl a-Amino Esters via Bi(V)-Mediated Arylation\/SN<\/sub>2-Displacement of Kukhtin-Ramirez Intermediates.<\/a>  Calcatelli, A.; Denton, R. A.; Ball, L. T.; Org. Lett.<\/em>, 2022<\/strong>, 24<\/em>, 8002-8007.<\/p>\n<\/div><\/div>\n\n\n\n

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45. Nitrogen-Centered Radicals in Functionalization of sp2 Systems: Generation, Reactivity, and Applications in Synthesis.<\/a>  Pratley, C.; Fenner, S.; Murphy, J. A.; Chem. Rev.<\/em>, 2022<\/strong>, 122<\/em>, 8181-8260.<\/p>\n<\/div><\/div>\n\n\n\n

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44. Design, Synthesis, and Characterization of I-BET567, a Pan-Bromodomain and Extra Terminal (BET) Bromodomain Oral Candidate. <\/a>Humphreys, P. G.; Atkinson, S. J.; Bamborough, P.; Bit, R. A.; Chung, C.-w.; Craggs, P. D.; Cutler, L.; Davis, R.; Ferrie, A.; Gong, G.; Gordon, L. J.; Gray, M.; Harrison, L. A.; Hayhow, T. G.; Haynes, A.; Henley, N.; Hirst, D. J.; Holyer, I. D.; Lindon, M. J.; Lovatt, C.; Lugo, D.; McCleary, S.; Molnar, J.; Osmani, Q.; Patten, C.; Preston, A.; Rioja, I.; Seal, J. T.; Smithers, N.; Sun, F.; Tang, D.; Taylor, S.; Theodoulou, N. H.; Thomas, C.; Watson, R. J.; Wellaway, C. R.; Zhu, L.; Tomkinson, N. C. O.; Prinjha, R. K. J. Med. Chem.<\/em>, 2022<\/strong>, 65<\/em>, 2262-2287.<\/p>\n<\/div><\/div>\n\n\n\n

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43. Process Safety in the Pharmaceutical Industry: A Selection of Illustrative Case Studies.<\/a> Dunn, A. L.; Payne, A.; Clark, P. R.; McKay, C.; Williams, G. D.; Wheelhouse, K.; Arendt, K.; Dixon, F.; Shilcrat, S. J. Chem. Educ.<\/em>, 2021<\/strong>, 98<\/em>, 175-182.<\/p>\n<\/div><\/div>\n\n\n\n

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42. Optimization of Naphthyridones into Selective TATA-Binding Protein Associated Factor 1 (TAF1) Bromodomain Inhibitors.<\/a> Clegg, M. A.; Theolodoulou, N. H.; Bamborough, P.; Chung, C.-w.; Craggs, P. D.; Demont, E. H.; Gordon, L. J.; Liwicki, G. M.; Phillpou, A.; Tomkinson, N. C. O.; Prinjha, R. K.; Humphreys, P. ACS Med. Chem. Lett.<\/em>, 2021<\/strong>, 12<\/em>, 1308\u20131317.<\/p>\n<\/div><\/div>\n\n\n\n

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41. A Solvent-reagent Selection Guide for Steglich-type Esterification of Carboxylic Acids.<\/a> Jordan, A.; Whymark, K. D.; Sydenham, J.; Sneddon, H. F. Green Chem<\/em>., 2021<\/strong>, 23, 6405-6413.<\/p>\n<\/div><\/div>\n\n\n\n

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40. Chlorinated Solvents: Their Advantages, Disadvantages, and Alternatives in Organic and Medicinal Chemistry.<\/a> Jordan, A.; Stoy, P.; Sneddon, H. F. Chem<\/em>. Rev<\/em>., 2021<\/strong>, 121<\/em>, 1582-1622.<\/p>\n<\/div><\/div>\n\n\n\n

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39. Structural Variation of Protein-ligand Complexes of the First Bromodomain of BRD4.<\/a> Guest, E. E.; Pickett, S. D.; Hirst, J. D. Org. Biomol. Chem.<\/em>, 2021<\/strong>, 19<\/em>, 5632-5641.<\/p>\n<\/div><\/div>\n\n\n\n

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38. A Phenotypic Approach for the Identification of New Molecules for Targeted Protein Degradation Applications.<\/a> Stacey, P.; Lithgow, H.; Lewell, X.; Konopacka, A.; Besley, S.; Green, G.; Whatling, R.; Law, R.; R\u00f6th, S.; Sapkota, G. P.; Smith, I. E. D.; Burley, G. A.; Harling, J.; Benowitz, A. B.; Queisser, M. A,; Muelbaier. SLAS Discovery<\/em>, 2021<\/strong>, 26<\/em>, 885-895.<\/p>\n<\/div><\/div>\n\n\n\n

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37. Towards Physics-based Solubility Computation for Pharmaceuticals to Rival Informatics.<\/a> Fowles, D. J.; Palmer, D. S.; Guo, R.; Price, S. L.; Mitchell, J. B. O. J. Chem. Theory Comput.<\/em>, 2021<\/strong>, 17<\/em>, 3700\u20133709.<\/p>\n<\/div><\/div>\n\n\n\n

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36. Recent Advances in the Generation of Nitrilium Betaine 1,3-Dipoles.<\/a> Livingstone, K.; Little, G.; Jamieson, C. Synthesis<\/em>, 2021<\/strong>, 53<\/em>, 2395-2407.<\/p>\n<\/div><\/div>\n\n\n\n

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35. Influence of Structure and Solubility of Chain Transfer Agents on the RAFT Controlled Dispersion Polymerisation in scCO2.<\/a> Pacheco, A. A. C.; da Silva Filho, A. F.; Kortsen, K.; Hanson-Heine, M. W. D.; Taresco, V.; Hirst, J. D.; Lansalot, M.; D\u2019Agosto, F.; Howdle, S. M. Chem. Sci.<\/em>, 2021<\/strong>, 12<\/em>, 1016\u20131030.<\/p>\n<\/div><\/div>\n\n\n\n

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34. Trialkylammonium Salt Degradation: Implications for Methylation and Cross-coupling.<\/a> Washington, J. B.; Assante, M.; Yan, C.; McKinney, D.; Juba, V.; Leach, A. G.; Baillie, S. E.; Reid, M. Chem. Sci.<\/em>, 2021<\/strong>, 12<\/em>, 6949-6963.<\/p>\n<\/div><\/div>\n\n\n\n

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33. Investigating the Effects of the Core Nitrogen Atom Configuration on the Thermodynamic Solubility of 6,5-Bicyclic Heterocycles.<\/a> Cosgrove, B.; Down, K.; Bertrand, S.; Tomkinson, N. C. O.; Barker, M. D. Bioorg. Med. Chem. Lett.<\/em>, 2021<\/strong>, 33<\/em>, 127752.<\/p>\n<\/div><\/div>\n\n\n\n

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32. Synthesis of Arylethylamines via<\/em> C(sp3<\/sup>)\u2013C(sp3<\/sup>) Palladium-Catalyzed Cross-Coupling.<\/a> Lippa, R. A.; Battersby, D. J.; Murphy, J. A.; Barrett, T. N. J. Org. Chem.<\/em>, 2021<\/strong>, 86<\/em>, 3583\u20133604.<\/p>\n<\/div><\/div>\n\n\n\n

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31. A Sustainable and Scalable Multicomponent Continuous Flow Process to Access Fused Imidazoheterocycle Pharmacophores.<\/a> Baker, B. J. M.; Kerr, W. J.; Lindsay, D. M.; Patel, V. K.; Poole, D. L. Green Chem.<\/em>, 2021<\/strong>, 23<\/em>, 280-287. <\/p>\n<\/div><\/div>\n\n\n\n

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30. Ruthenium-Catalyzed Ester Reductions Applied to Pharmaceutical Intermediates. <\/a>Shaalan, Y.; Boulton, L.; Jamieson, C. Org. Proc. Res. Dev.<\/em>, 2020<\/strong>, 24<\/em>, 2745-2751.<\/p>\n<\/div><\/div>\n\n\n\n

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29. Development of a More Sustainable Appel Reaction.<\/a> Jordan, A.; Sneddon, H. F.; Denton, R. M. ACS Sustainable Chem. Eng.<\/em> 2020<\/strong>, 8<\/em>, 2300-2309. <\/p>\n<\/div><\/div>\n\n\n\n

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28. UV-Induced 1,3,4-Oxadiazole Formation from 5-Substituted Tetrazoles and Carboxylic Acids in Flow.<\/a> Green, L.; Livingstone, K.; Bertrand, S.; Peace, S.; Jamieson, C. Chem. Eur. J.<\/em>, 2020<\/strong>, 26<\/em>, 14866-14870. <\/p>\n<\/div><\/div>\n\n\n\n

\"Go<\/figure>
\n

27. Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta.<\/a> Spencer, J. A.; Baldwin, I. R.; Barton, N.; Chung, C. W.; Convery, M. A.; Edwards, C. D.; Jamieson, C.; Mallett, D. N.; Rowedder, J. E.; Rowland, P.; Thomas, D. A.; Hardy, C. J. ACS Med. Chem. Lett.<\/em>, 2020<\/strong>, 11<\/em>, 1386-1391.<\/p>\n<\/div><\/div>\n\n\n\n

\"Go<\/figure>
\n

26. Exploring Ligand Stability in Protein Crystal Structures Using Binding Pose Metadynamics.<\/a> Fusani, L.; Palmer, D. S.; Somers, D. O.; Wall, I. D. J. Chem. Inf.<\/em> Mod.<\/em>, 2020<\/strong>, 60<\/em>, 1528-1539. <\/p>\n<\/div><\/div>\n\n\n\n

\"Go<\/figure>
\n

25. Molecular Simulation of aVb6 Integrin Inhibitors.<\/a> Guest, E. E.; Oatley, S. A.; Macdonald, S. J. M.; Hirst, J. D. J. Chem. Inf. Mod.<\/em>, 2020<\/strong>, 60<\/em>, 5487\u20135498. <\/p>\n<\/div><\/div>\n\n\n\n

\"\"\/<\/a><\/figure>
\n

24. Machine Learning for Chemical Synthesis.<\/a> Haywood A. L.; Redshaw, J.; Gaertner, T.; Taylor, A.; Mason, A. M.; Hirst, J. D. In \u201cMachine Learning in Chemistry: The Impact of Artificial Intelligence\u201d<\/em> Ed. Cartwright, H. RSC, London, Chapter 7, pp 169-194 (2020<\/strong>).<\/p>\n<\/div><\/div>\n\n\n\n

\"Go<\/figure>
\n

23. Optimization of Potent ATAD2 and CECR2 Bromodomain Inhibitors with an Atypical Binding Mode.<\/a> Lucas, S. C. C.; Atkinson, S. J.; Bamborough, P.; Barnett, H.; Chung, C.-w.; Gordon, L.; Mitchell, D. J.; Phillipou, A.; Prinjha, R. K.; Sheppard, R. J.; Tomkinson, N. C. O.; Watson, R. J.; Demont, E. H. J. Med. Chem.<\/em>, 2020<\/strong>, 63<\/em>, 5212\u20135241.<\/p>\n<\/div><\/div>\n\n\n\n

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22. Visible Light-mediated Smiles Rearrangements and Annulations of Non-activated Aromatics.<\/a> Lawson, C. A.; dominey, A. P.; Williams, G. D.; Murphy, J. A. Chem. Commun.<\/em>, 2020<\/strong>, 56<\/em>, 11445-11448.<\/p>\n<\/div><\/div>\n\n\n\n

\"Tetrahedron<\/figure>
\n

21. An Azide and Acetylene Free Synthesis of 1-Substituted 1,2,3-Triazoles.<\/a> Patterson, S. J. M.; Clark, P. R.; Williams, G. D.; Tomkinson, N. C. O. Tetrahedron Lett.<\/em>, 2020<\/strong>, 61<\/em>, 152483.<\/p>\n<\/div><\/div>\n\n\n\n

\"European<\/figure>
\n

20. Discovery of the First Potent and Selective \u03b1v<\/sub>\u03b25<\/sub> Integrin Inhibitor based on an Amide-containing Core. <\/a>Lippa, R. A.; Barrett, J.; Pal, S.; Rowedder, J. E.; Murphy, J. A.; Barrett, T. N. Eur. J. Med. Chem.<\/em>, 2020<\/strong>, 208<\/em>, 112719.<\/p>\n<\/div><\/div>\n\n\n\n

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19. Stereoselective Remote Functionalization via Palladium-Catalyzed <\/a>Redox<\/a>-Relay Heck Methodologies. <\/a>Bonfield, H. E.; Valette, D.; Lindsay, D. M.; Reid, M. Chem. Eur. J.<\/em>, 2021<\/strong>, 27<\/em>, 158-174.<\/p>\n<\/div><\/div>\n\n\n\n

\"Bastien<\/figure>
\n

18. Facile Synthesis of 7-Alkyl-1,2,3,4-tetrahydro-1,8-naphthyridines as Arginine Mimetics using a Horner\u2013Wadsworth\u2013Emmons-based Approach.<\/a> Lippa, R. A.; Murphy, J. A.; Barrett, T. N. Beilstein J. Org. Chem<\/em>., 2020<\/strong>, 16<\/em>, 1617\u20131626.<\/p>\n<\/div><\/div>\n\n\n\n

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17. A Mechanistic and Cautionary Case Study on the Use of Alternating Potential in Electrochemical Reactions.<\/a> Wills, A. G.; Poole, D. L.; Alder, C. M.; Reid, M. ChemElectroChem<\/em>, 2020<\/strong>, 7<\/em>, 2771\u20132776.<\/p>\n<\/div><\/div>\n\n\n\n

\"Go<\/figure>
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16. Application of Atypical Acetyl-lysine Methyl Mimetics in the Development of Selective Inhibitors of the Bromodomain-Containing Protein 7 (BRD7)\/Bromodomain-Containing Protein 9 (BRD9) Bromodomains. <\/a>Clegg, M. A.; Bamborough, P.; Chung, C.-w.; Craggs, P. D.; Gordon, L.; Grandi, P.; Leverige, M.; Lindon, M.; Liwicki, G. M.; Michon, A.-M.; Molnar, J.; Rioja, I.; Soden, P. E.; Theodoulou, N. H.; Werner, T.; Tomkinson, N. C. O.; Prinjha, R. K.; Humphreys, P. G. J. Med. Chem.<\/em>, 2020<\/strong>, 63<\/em>, 5816\u20135840.<\/p>\n<\/div><\/div>\n\n\n\n

\"Bioorganic<\/figure>
\n

15. Hi-JAK-ing the Ubiquitin System: The Design and Physicochemical Optimisation of JAK PROTACs.<\/a> Shah, R. R.; Redmond, J. M.; Mihut, A.; Menon, M.; Evans, J. P.; Murphy, J. A.; Bartholomew, M. A.; Coe, D. M. Bioorg. Med. Chem<\/em>., 2020<\/strong>, 28<\/em>, 115326.<\/p>\n<\/div><\/div>\n\n\n\n

\"\"\/<\/figure>
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14. A Scalable Metal-, Azide-, and Halogen-Free Method for the Preparation of Triazoles.<\/a> Clark, P. R.; Williams, G. D.; Hayes, J. F.; Tomkinson, N. C. O. Angew. Chem. Int. Ed.<\/em>, 2020<\/strong>, 59<\/em>, 6740-6744.<\/p>\n<\/div><\/div>\n\n\n\n

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13. Hydrogen Atom Transfer-Mediated Domino Cyclisation Reaction to Access (Spiro)Quinazolinones. <\/a>Turner, O. J.; Hirst, D. J.; Murphy, J. A. Chem. Eur. J.<\/em>, 2020<\/strong>, 26<\/em>, 3026-3029.<\/p>\n<\/div><\/div>\n\n\n\n

\"\"\/<\/figure>
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12. The Right Light: De Novo Design of a Robust Modular Photochemical Reactor for Optimum Batch and Flow Chemistry.<\/a> Bonfield, H. E.; Mercer, K.; Diaz-Rodriguez, A.; Cook, G. C.; McKay, B. S. J.; Slade, P.; Taylor, G. M.; Xiang Ooi, W.; Williams, J. D.; Roberts, J. P. M.; Murphy, J. A.; Schmermund, L.; Kroutil, W.; Mielke, T.; Cartwright, J.; Grogan, G.; Edwards, L. J. ChemPhotoChem<\/em>, 2020<\/strong>, 4<\/em>, 45-51.<\/p>\n<\/div><\/div>\n\n\n\n

\"Go<\/figure>
\n

11. Assessing the Limits of Sustainability for the Del\u00e9pine Reaction.<\/a> Jordan, A.; Huang, S.; Sneddon, H. F.; Nortcliffe, A. ACS Sustainable Chem. Eng.<\/em>, 2020<\/strong>, 8<\/em>, 12746\u201312754.<\/p>\n<\/div><\/div>\n\n\n\n

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10. A Photoaffinity-Based Fragment-Screening Platform for Efficient Identification of Protein Ligands.<\/a> Grant, E. K.; Fallon, D. J.; Hann, M. M.; Fantom, K. G. M.; Quinn, C.; Zappacosta, F.; Annan, R. S.; Chung, C.-w.; Bamborough, P.; Dixon, D. P.; Stacey, P.; House, D.; Patel, V. K.; Tomkinson, N. C. O.; Bush, J. T. Angew. Chem. Int. Ed.<\/em>, 2020<\/strong>, 59<\/em>, 21096-21105.<\/p>\n<\/div><\/div>\n\n\n\n

2019<\/h3>\n\n\n\n
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9. Redox-neutral organocatalytic Mitsunobu reactions. <\/a>Beddoe, R. H.; Andrews, K. G.; Magn\u00e9, V.; Cuthbertson, J. D.; Saska, J.; Shannon-Little, A. L.; Shanahan, S. E.; Sneddon, H. F.; Denton, R. Science<\/em>, 2019<\/strong>, 365<\/em>, 910-914.<\/p>\n<\/div><\/div>\n\n\n\n

\"\"\/<\/figure>
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8. Metal-free C\u2013C Bond Formation via Coupling of Nitrile Imines and Boronic Acids. <\/a>Livingstone, K.; Bertrand, S.; Mowat, J.; Jamieson C. Chem. Sci.<\/em>, 2019<\/strong>, 10<\/em>, 10412-10416. <\/p>\n<\/div><\/div>\n\n\n\n

\"\"\/<\/figure>
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7. A Photoaffinity Displacement Assay and Probes to Study the Cyclin-Dependent Kinase Family.<\/a> Grant, E. K.; Fallon, D. J.; Eberl, C.; Fantom, K. G. M.; Zappacosta, F.; Messenger, C.; Tomkinson, N. C. O.; Bush, J. Angew. Chem. Int. Ed.<\/em>, 2019<\/strong>, 58<\/em>, 17322-17327.<\/p>\n<\/div><\/div>\n\n\n\n

\"\"\/<\/figure>
\n

6. Copper-catalysed C\u2013H Functionalisation Gives Access to 2-Aminobenzimidazoles<\/a>. Clark, P. R.; Williams, G. D.; Tomkinson N. C. O. Org. Biomol. Chem.<\/em>, 2019<\/strong>, 17<\/em>, 7943-7955.<\/p>\n<\/div><\/div>\n\n\n\n

\"Go<\/figure>
\n

5. Profile of a Highly Selective Quaternized Pyrrolidine Betaine \u03b1v\u03b26 Integrin Inhibitor – (3S)-3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)phenyl)-4-((1S and 1R,3R)-1-methyl-3-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl)pyrrolidin-1-ium-1-yl)butanoate Synthesized by a Stereoselective Methylation.<\/a> Barrett, T. M.; Taylor, J. A.; Barker, D.; Procopiou, P. A.; Thompson, J. D. F.; Barrett, J.; Le, J.; Lynn, S. M.; Pogany, P.; Pratley, C.; Pritchard, J. M.; Roper, J. A.; Rowedder, J. E.; Slack, R. J.; Vitulli, G.; Macdonald, S. J. F.; Kerr, W. J. J. Med. Chem.<\/em>, 2019<\/strong>, 62<\/em>, 7543-7556. <\/p>\n<\/div><\/div>\n\n\n\n

\"Go<\/figure>
\n

4. PROTAC-mediated Degradation of Bruton\u2019s Tyrosine Kinase Is Inhibited by Covalent Binding. <\/a>Tinworth, C. P.; Lithgow, H.; Dittus, L.; Bassi, Z. I.; Hughes, S. E.; Muelbaier, M.; Dai, H.; Smith, I. E. D.; Kerr, W. J.; Burley, G. A.; Bantscheff, M.; Harling, J. D. ACS Chem. Biol.<\/em>, 2019<\/strong>, 14<\/em>, 342-347. <\/p>\n<\/div><\/div>\n\n\n\n

\"\"<\/figure>
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3. The Electrophilic Fluorination of Enol Esters Using SelectFluor: A Polar Two-Electron Process.<\/a> Wood, S. H.; Etridge, S.; Kennedy, A. R.; Percy, J. M.; Nelson, D. J. Chem. Eur. J.<\/em>, 2019<\/strong>, 25<\/em>, 5574-5585.<\/p>\n<\/div><\/div>\n\n\n\n

\"\"<\/figure>
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2. Advancements in the Development of non-BET Bromodomain Chemical Probes.<\/a> Clegg, M. A.; Tomkinson, N. C. O.; Prinjha, R. K.; Humphreys, P. ChemMedChem<\/em>, 2019<\/strong>, 14<\/em>, 362-385.<\/p>\n<\/div><\/div>\n\n\n\n

\"\"\/<\/figure>
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1. Development of a Solvent-reagent Selection Guide for the Formation of Thioesters.<\/a> Jordan, A.; Sneddon, H. F. Green Chem.<\/em>, 2019<\/strong>, 21<\/em>, 1900-1906.<\/p>\n<\/div><\/div>\n\n\n\n

\n
<\/div>\n<\/div>\n","protected":false},"excerpt":{"rendered":"

To date, over 80 peer-reviewed research articles and a book chapter have been published \u00a0based on research carried out as part of our collaborative projects. 2025 85. Optimisation of Additively …<\/p>\n","protected":false},"author":2,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"template-layout-fullwidth.php","meta":{"footnotes":""},"class_list":["post-102","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/newmedicinesprosperitypartnership.ac.uk\/index.php?rest_route=\/wp\/v2\/pages\/102","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/newmedicinesprosperitypartnership.ac.uk\/index.php?rest_route=\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/newmedicinesprosperitypartnership.ac.uk\/index.php?rest_route=\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/newmedicinesprosperitypartnership.ac.uk\/index.php?rest_route=\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/newmedicinesprosperitypartnership.ac.uk\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=102"}],"version-history":[{"count":53,"href":"https:\/\/newmedicinesprosperitypartnership.ac.uk\/index.php?rest_route=\/wp\/v2\/pages\/102\/revisions"}],"predecessor-version":[{"id":890,"href":"https:\/\/newmedicinesprosperitypartnership.ac.uk\/index.php?rest_route=\/wp\/v2\/pages\/102\/revisions\/890"}],"wp:attachment":[{"href":"https:\/\/newmedicinesprosperitypartnership.ac.uk\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=102"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}