Leach Research Group

104) "In Situ Studies of Arylboronic Acids/Esters and R3SiCF3 Reagents: Kinetics, Speciation, and Dysfunction at the Carbanion–Ate Interface"

García-Domínguez A.; Leach A. G.; Lloyd-Jones G. C. Acc. Chem. Res. 2022, 55, 9, 1324–1336.

103) "Data-Driven Derivation of Molecular Substructures That Enhance Drug Activity in Gram-Negative Bacteria"

Gurvic D.; Leach A. G.; Zachariae U. J. Med. Chem. 2022, 65, 6088–6099.

102) "Asymmetric Synthesis of Heterocyclic Chloroamines and Aziridines by Enantioselective Protonation of Catalytically Generated Enamines**"

McLean L. A.; Ashford M. W.;  Fyfe J. W. B.; Slawin A. M. Z.; Leach A. G.; Watson A. J. B. Chem. Eur. J. 2022, 28, e2022000.

101) “Enantiomer stability of atropisomeric 1,5-disubstituted 1,2,3-triazoles”
Meloni, F.; Brittain, W. D. G.; Male, L.; Le Duff, C. S.; Buckley, B. R.; Leach, A. G.; Fossey, J. S. Tet. Chem.2022, 1, 100004.

100) “A Lewis Base Nucleofugality Parameter, NFB, and its Application in an Analysis of MIDA-boronate Hydrolysis Kinetics"
Taylor, N. P.; Gonzalez, J. A.; Nichol, G. S.; García-Domínguez, A.; Leach, A. G.; Lloyd-Jones, G. C. J. Org. Chem.2022, 87, 721–729.

99) “Heavy-Atom Kinetic Isotope Effects: Primary Interest or Zero Point?”
Dale, H. J. A.; Leach, A. G.; Lloyd-Jones, G. C. J. Am. Chem. Soc2021143, 21079-21099.

98) “Microwave-assisted synthesis of 4-oxo-2-butenoic acids by aldol-condensation of glyoxylic acid”
Uguen, M.; Gai, C.; Liu, H.; Sprenger, L.; Leach, A.; Waring, M. RSC Adv.2021, 11, 30229-30236.

97) “Design, Synthesis and Evaluation of Tryptophan Analogues as Tool Compounds to Study IDO1 Activity”
Cundy, N. J.; Hare R. K.; Tang, T.; Leach, A. G.; Jowitt, T. A.; Qureshi, O.; Gordon, J.; Barnes, N. M.; Brady, C. A.; Raven, E. L.; Grainger, R. S.; Butterworth, S. RSC Chem. Biol.2021, 2, 1651-1660.

96) “Protodeboronation of (Hetero)Arylboronic Esters: Direct versus Pre-hydrolytic Pathways and Self/Auto-Catalysis”
Hayes, H. L. D.; Wei, R.; Geogheghan, K. J.; Jin, N.; Tomasi, S.; Noonan, G.; Leach, A. G; Lloyd-Jones, G. C. J. Am. Chem. Soc.2021, 143, 36, 14814–14826.

95) “The Inclusion of a Matrix Metalloproteinase-9 Responsive Sequence in Self-assembled Peptide-based Brain-Targeting Nanoparticles Improves the Efficiency of Nanoparticles Crossing the Blood-Brain Barrier at Elevated MMP-9 Levels”
Islam, Y.; Ehtezazi, P.; Cashmore, A.; Marinsalda, E.; Leach, A. G.; Coxon, C. R.; Fatokun, A. A.; Sexton, D. W.; Khan, I.; Zouganelis, G.; Downing, J.; Pluchino, S.; Sivakumaran, M.; Teixido, M.; Ehtezazi, T. J. Pharm. Sci.2021, 1349-1364.

94) “Trialkylammonium Salt Degradation: Implications for Methylation and Cross-coupling”
Washington, J. B.; Assante, M.; Yan, C.; McKinney, D.; Juba, V.; Leach, A. G.; Baillie, S. E.; Reid, M. Chem. Sci.2021, 12, 6949-6963.

93) “Mapping Ligand Shape Space for Protein-Ligand Systems; Distinguishing Key-in-Lock and Hand-in-Glove Proteins”
Zarnecka, J.; Lukac, I.; Messham, S. J.; Hussin, A.; Coppola, F.; Enoch, S. J.; Dossetter, A. G.; Griffen, E. J.; Leach, A. G.* J. Chem. Inf. Model. 2021, 61, 1859-1874.

92) “Physiological and Pathological Factors Affecting Drug Delivery to the Brain by Nanoparticles”
Islam, Y.; Leach, A. G.; Smith, J.; Pluchino, S.; Coxon, C. R.; Sivakumaran, M.; Downing, J.; Fatokun, A. A.; Texidò, M.; Ehtezazi, T. Advanced Science2021, 8, 2002085.

91) “Difluorocarbene Generation from TMSCF3: Kinetics and Mechanism of NaI-Mediated, and Si-Induced, Anionic Chain Reactions”
García-Domínguez, A.; West, T. H.; Primozic, J. J.; Grant, K. M.; Jonnston, C. P.; Cumming, G. G.; Leach, A. G.; Lloyd-Jones, G. C. J. Am. Chem. Soc.2020, 142, 14949-14663.

90) “Fragment-Oriented Synthesis: β-Elaboration of Cyclic Amine Fragments using Enecarbamates as Platform Intermediates”
Trindade, A.; Faulkner, E.; Leach, A.; Nelson, A.; Marsden, S. P. Chem. Commun.2020, 56, 8802-8805.

89) “Development of brain targeting peptide based MMP-9 inhibiting nanoparticles for the treatment of brain diseases with elevated MMP-9 activity”
Islam, Y.; Khalid, A.; Pluchino, S.; Sivakumaran, M.; Teixidò, M.; Leach, A.; Fatokun, A. A.; Downing, J.; Coxon, C.; Ehtezazi, T. J. Pharm. Sci. 2020, 109, 3134-3144.

88) “Catalytic enantioselective synthesis of heterocyclic vicinal fluoroamines using asymmetric protonation: A method development and mechanistic study”
Watson, A. J. B.; Ashford, M. W.; Xu, C.; Molloy, J. J.; Carpenter-Warren, C.; Slawin, A. M. Z.; Leach, A. G. Chem. Eur. J.2020, 26, 12249-12255.

87) “Chemists: AI is Here, Unite to get the Benefits”
Griffen, E. J.; Dossetter, A. D.; Leach, A. G. J. Med. Chem.2020, 63, 8695-8704.

86) “Peptide based drug delivery systems to the brain”
Islam, Y.; Leach, A. G.; Smith, J.; Pluchino, S.; Coxon, C. R.; Sivakumaran, M.; Downing, J.; Fatokun, A. A.; Teixìdo, M.; Ehtezazi, T. Nano Express 2020, 1, 012002.

85) “Racemisation in Chemistry and Biology”
Ballard, A.; Narduolo, S.; Ahmed, H. O.; Keymer, N. I.; Asaad, N.; Cosgrove, D. A.; Buurma, N. J.; Leach, A. G.* Chem. Eur. J.2020, 26, 3661-3687.

84) “Kinetics and Mechanism of the Arase-Hoshi R2BH-Catalyzed Alkyne Hydroboration: Alkenylboronate generation via B-H/C-B Metathesis”
Nieto-Sepulveda, E.; Bage, A.; Evans, L.; Hunt, T.; Leach, A.; Thomas, S.; Lloyd-Jones, G. J. Am. Chem. Soc. 2019, 141, 18600-18611.
83) “Derivatisation of parthenolide to address chemoresistant chronic lymphocytic leukaemia”
Li, X.; Payne, D.; Ampolu, B.; Bland, N.; Brown, J.; Dutton, M.; Fitton, C.; Guliver, A.; Hale, L.; Hamza, D.; Lane, R.; Leach, A.; Male, L.; Merisor, E.; Morton, M.; Quy, A.; Roberts, R.; Scaril, R.; Schulz-Utermoehl, T.; Stankovic, T.; Stevenson, B.; Fossey, J.; Agathanggelou, A. MedChemComm.2019, 10, 1379-1390.

82) “The problem of racemization in drug discovery and tools to predict it”
Leach, A. G.*; Cosgrove, D. A.; Buurma, N. J.; Ballard, A.; Narduolo, S.; Ahmad, H. O. Expert Opinion Drug Dicov.2019, 14, 527-539.

81) “Enhancing the Kinetics of Hydrazone Exchange Processes: An Experimental and Computational Study”
Higgs, P. L.; Ruiz-Sanchez, A.; Dalmina, M.; Horrocks, B. R.; Leach, A. G.*; Fulton, D. A. Org. Biomol. Chem.2019, 17, 3218-3224.

80) “Predicting protein–ligand binding affinity and correcting crystal structures with quantum mechanical calculations: lactate dehydrogenase A”
Lukac, I.; Abdelhakim, H.; Ward, R. A.; St-Gallay, S. A.; Madden, J. C.; Leach, A. G.* Chem. Sci.2019, 10, 2218-2227.

79) “Tuning The Binding Affinity And Selectivity Of Perfluoroaryl‐Stapled Peptides By Cysteine‐Editing”
Verhoork, S. M.; Jennings, C. E; Rozatian, N.; Reeks, J.; Meng, J.; Corlett, E. K.; Bunglawala, F.; Noble, M. E. M.; Leach, A. G; Coxon, C. R.Chem. Eur. J.2019, 25, 177-182.

78) “Anion-Initiated Trifluoromethylation by TMSCF3: Deconvolution of the Siliconate-Carbanion Dichotomy by Stopped-Flow NMR/IR”
Johnston, C. P.; West, T. H.; Dooley, R. E.; Reid, M.; Jones, A. B.; King, E. J.; Leach, A. G.; Lloyd-Jones, G. C. J. Am. Chem. Soc. 2018, 140, 11112-11124.

77) “Catalytic enantioselective synthesis of chiral azaheteroaryl ethylamines via dearomatizing aza-Michael/rearomatizing asymmetric protonation”
Watson, A. J. B.; Xu, C.; Leach, A.; Muir, C.; Kennedy, A. Angew. Chem. Int. Ed.2018, 130, 11544-11547.

76) “Palladium and platinum 2,4-cis-amino azetidine and related compounds”
Yoshizawa, A.; Feula, A.; Male, L.; Leach, A. G.; Fossey, J. S. Frontiers, 2018, 6, 211.

75) "Rigid and concave, 2,4-cis-substituted azetidine derivatives: A platform for asymmetric catalysis"
Yoshizawa, A.; Feula, A.; Male, L.; Leach, A. G.; Fossey, J. S. Sci. Rep.2018, 8, 6541.

74) “Can we accelerate medicinal chemistry by augmenting the chemist with Big Data and artificial intelligence?”
Griffen, E. J.; Dossetter, A. G.; Leach, A. G.; Montague, S. Drug Discov. Today2018, 23, 1373-1384.

73) “An investigation into drug partitioning behaviour in simulated pulmonary surfactant monolayers with associated molecular modelling”
Davies, M. J.; Leach, A. G.; Riley, F. Surf. Interface Anal.2018, 50, 369-377.

72) “A quantitative approach to predicting rate constants for aqueous racemization allows pointless stereoselective syntheses to be avoided”
Ballard, A.; Ahmad, H. O.; Narduolo, S.; Rosa, L.; Chand, N.; Cosgrove, D. A.; Varkonyi, P.; Asaad, N.; Tomasi, S.; Buurma, N. J.; Leach, A. G.* Angew. Chem. Int. Ed.2018, 57, 982-985.

71) “Learning medicinal chemistry ADMET rules from cross-company matched molecular pairs analysis"
Kramer, C.; Ting, A.; Zheng, H.; Hert, J.; Schindler, T.; Stahl, M.; Robb, G.; Crawford, J. J.; Blaney, J.; Montague, S.; Leach, A. G.; Dossetter, A. G.; Griffen, E. J. J. Med. Chem. 2018, 61, 3277-3292.

70) “Turbocharging matched molecular pair analysis; optimizing the identification and analysis of pairs.”
Lukac, I.; Zarnecka, J.; Griffen, E.; Dossetter, A.; St-Gallay, S.; Enoch, S. J.; Madden, J. C.; Leach, A. G.* J. Chem. Inf. Model.2017, 57, 2424-2436.

69) “Base-catalyzed Aryl-B(OH)2 Protodeboronation Revisited: from Concerted Proton-Transfer to Liberation of a Transient Arylanion”
Cox, P. A.; Reid, M.; Leach, A. G.; Campbell, A. D.; King, E. J.; Llloyd-Jones, G. C. J. Am. Chem. Soc.2017, 139, 13156-13165.

68) “Novel N-thiazolyl piperazine-1-carboxamide CCR2 antagonists – investigation of an unexpected reaction with glutathione”
Cumming, J. G.; MacFaul, P. A.; Leach, A. G.* Med. Chem. Commun.2015, 6, 2140-2145.

67) "Designing hydroxamates and reversed hydroxamates to inhibit zinc-containing proteases but not cytochrome P450s: insights from quantum mechanics and protein-ligand crystal structures"

Barker, C.; Lukac, I.; Leach, A. G.* Mol. Informatics2015, 34, 608-614.

66) “A mechanistic proposal for the protodeboronation of neat boronic acids: boronic acid mediated reaction in the solid state”
Noonan, G.; Leach, A. G.* Org. Biomol. Chem.2015, 13, 2555-2560.

65) “Circumventing seizure activity in a series of G Protein Coupled Receptor 119 (GPR119) agonists”
Scott, J. S.; Bowker, S. S.; Brocklehurst, K. J.; Brown, H. S.; Clarke, D. S.; Easter, A.; Ertan, A.; Goldberg, K. Hudson, J. A.; Kavanagh, S.; Laber, D.; Leach, A. G.; MacFaul, P. A.; Martin, E. A.; McKerrecher, D.; Schofield, P.; Svensson, P. H.; Teague, J. J. Med. Chem. 2014, 57, 8984-8998.

64) “Predicting the activity and toxicity of new psychoactive substances: a pharmaceutical industry perspective”
Leach, A. G.* Drug Test. Analysis 2014, 6, 739-745.

63) “Medicinal chemistry optimisation of kinetics” in Kinetics and Thermodynamics of Drug Binding, Swinney, D., ed.
Waring, M. J.; Leach, A. G.; Miller, D.

62) “Cytochrome P450 substrate recognition and binding”  in Drug Metabolism Prediction, Kirchmair, J., ed.
Leach, A. G.*; Kidley, N. J. 2014, 103-132.

61) “Tactics to avoid inhibition of cytochrome P450s” in Tactics in Contemporary Drug Design, Meanwell, N., ed.
Leach, A. G.* 2015, 107-158.

60) “Achieving improved permeability by hydrogen bond donor modulation in a series of MGAT2 inhibitors”
Scott, J. S.; Berry, D. J.; Brown, H. S.; Buckett, L.; Clarke, D. S.; Goldberg, K.; Hudson, J. A.; Leach, A. G.; MacFaul, P. A.; Raubo, P.; Robb, G. R. Med. Chem. Comm.2013, 4, 1305-1311.

59) “Experimental testing of quantum mechanical predictions of mutagenicity: aminopyrazoles”
Leach, A. G.; McCoull, W.; Bailey, A.; Barton, P. J.; Mee, C. D.; Rosevere, E. Chem. Res. Tox.2013, 26, 703-709.

58) “Matched Molecular Pair Analysis in drug discovery.”
Dossetter, A. G.; Griffen, E. J.; Leach, A. G. Drug Discovery Today2013, 18, 724-731.

57) “Discovery of 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (AZD5363), an orally bioavailable, potent inhibitor of Akt kinases.”
Addie, M.; Ballard, P.; Buttar, D.; Crafter, C.; Currie, G. S.; Davies, B. R.; Debreczeni, J.; Dry, H.; Dudley, P.; Greenwood, R.; Johnson, P. D.; Kettle, J. G.; Lane, C.; Lamont, G.; Leach, A. G.; Luke, R.; Morris, J.; Ogilvie, D.; Page, K.; Pass, M.; Pearson, S.; Ruston, L. J. Med. Chem.2013, 56, 2059-2073.

56) “Free-Wilson and structural approaches to co-optimising human and rodent isoform potency for 11β-hydroxysteroid dehydrogenase type 1 (11-βHSD1) inhibitors.”
Goldberg, F. W.; Leach, A. G.; Scott, J. S.; Snelson, W.; Groombridge, S.; Donald, C.; Bennett, S.; Bodin, C.; Gutierrez, P. M.; Gyte, A. J. Med. Chem. 2012, 55, 10652-10661.

55) Optimisation of biphenyl acetic acid inhibitors of diacylglycerol acetyl transferase 1 – the discovery of AZD2353”
Waring, M. J.; Birch, A. M.; Birtles, S.; Buckett, L. K.; Butlin, R. J.; Campbell, L.; Gutierrez, P. M.; Kemmitt, P. D.; Leach, A. G.; MacFaul, P. A.; O’Donnell, C.; Turnbull, A. V. Med. Chem. Comm.2013, 4, 159-164.

54) “Discovery and optimization of efficacious neutral 4-amino-6-biphenyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one diacylglycerol acyl transferase-1 (DGAT1) inhibitors”
Goldberg, F. W.; Birch, A. M.; Leach, A. G.; Groombridge, S. D.; Snelson, W. L.; Gutierrez, P. M.; Hammond, C. D.; Birtles, S.; Buckett, L. Med. Chem. Comm.2013, 4, 165-174.

53) “A monomeric form of iNOS can rationalise observed SAR for inhibitors of dimerisation: quantum mechanics and docking compared”
Leach, A. G.*; Olsson, L.-L.; Warner, D. J. Med. Chem. Comm.2013, 4, 180-186.
To be featured in New Talents in Medicinal Chemistry special edition.

52) “Investigation of the Origins of Regiochemical Control in [4+2] Cycloadditions of 2-Pyrones and Alkynylboronates”
Kirkham, J. D.; Leach, A. G.; Row, E. C.; Harrity, J. P. A. Synthesis, 2012, 44, 1964-1973.

51) “Design and synthesis of a novel series of cyclohexyloxy-pyridyl derivatives as inhibitors of diacylglycerol acyl transferase 1”
Plowright, A. T.; Barton, P.; Bennett, S.; Birch, A. M.; Birtles, S.; Buckett, L. K.; Butlin, R.; Davies, R. D. M.; Ertan, A.; Gutierrez, P. M.; Kemmitt, P. D.; Leach, A.; Svensson, P.; Turnbull, A.; Waring, M. J. Med. Chem. Comm.2013, 4, 151-158.

50) “A System for Encoding and Searching Markush Structures”
Cosgrove, D. A.; Green, K. M.; Leach, A. G.; Poirrette, A.; Winter, J. J. Chem. Inf. Model.2012, 52, 1936-1947.

49) “Optimisation of aqueous solubility in a series of G protein coupled receptor 119 (GPR119) agonists”
Scott, J. S.; Birch, A. M.; Brocklehurst, K. J.; Brown, H. S.; Goldberg, K.; Groombridge, S. D.; Hudson, J. A.; Leach, A. G.; MacFaul, P. A.; McKerrecher, D.; Poultney, R.; Schofield, P.; Svensson, P. Med. Chem. Comm.2013, 4, 95-100.

48) “Identification, optimisation and in vivo evaluation of oxadiazole DGAT-1 inhibitors for the treatment of obesity and diabetes.”
McCoull, W.; Addie, M. S.; Birch, A. M.; Birtles, S.; Buckett, L. K.; Butlin, R. J.; Bowker, S. S.; Boyd, S.; Chapman, S.; Davies, R. D. M.; Donald, C. S.; Green, C. P.; Jenner, C.; Kemmitt, P. D.; Leach, A. G.; Moody, G. C.; Morentin Gutierrez, P.; Newcombe, N. J.; Nowak, T.; Packer, M. J.; Plowright, A. T.; Revill, J.; Schofield, P.; Sheldon, C.; Stokes, S.; Turnbull, A. V.; Wang, S. J. Y.; Whalley, D. P.; Wood, J. M. Bioorg. Med. Chem. Letters2012, 22, 3873-3878.

47) “Protein–Ligand Crystal Structures Can Guide the Design of Selective Inhibitors of the FGFR Tyrosine Kinase.”
Norman, R. A.; Schott, A.-S.; Andrews, D. M.; Breed, J.; Foote, K. M.; Garner, A. P.; Ogg, D.; Orme, J. P; Pink, J. H.; Roberts, K.; Rudge, D. A.; Thomas, A. P.; Leach, A. G.* J. Med. Chem.2012, 55, 5003-5012.

46) “The Use of Small Molecule Crystal Structures to Address Solubility in a Novel Series of G Protein coupled receptor 119 (GPR119) Agonists: Optimisation of a Lead and in vivo Evaluation.”
Scott, J. S.; Birch, A. M.; Brocklehurst, K. J.; Broo, A.; Brown, H. S.; Butlin, R. J.; Clarke, D. S.; Davidsson, O.; Ertan, A.; Goldberg, K.; Groombridge, S. D.; Hudson, J. A.; Laber, D.; Leach, A. G.; MacFaul, P. A.; McKerrecher, D.; Pickup, A.; Schofield, P.; Svensson, P. H.; Sörme, P.; Teague, J. J. Med. Chem.2012, 55, 5361-5379.

45) “Rationally Designing Safer Anilines: The Challenging Case of 4-Aminobiphenyls”
Birch, A. M.; Groombridge, S.; Law, R.; Leach, A. G.*; Mee, C.; Schramm, C. J. Med. Chem.2012, 55, 3923-3933.

44) “Oxadiazole Isomers: All Bioisosteres Are Not Created Equal”
MacFaul, P. A.; Goldberg, K.; Groombridge, S.; Hudson, J.; Leach, A. G.; Pickup, A.; Poultney, R. ; Scott, J. S.; Svensson, P. H.; Sweeney, J. Med. Chem. Comm.2012, 3, 600-604.

43) “Enantiomeric pairs reveal that key medicinal chemistry parameters vary more than simple physical property based models can explain”
Leach, A. G.*; Pilling, E. A.; Rabow, A. A.; Tomasi, S.; Asaad, N.; Buurma, N. J.; Ballard, A.; Nardulolo, S. Med. Chem. Comm.2012, 3, 528-540.

42) “Mechanistic Studies on a Sulfoxide Transfer Reaction Mediated by Diphenyl Sulfoxide/Triflic Anhydride”
Fascione, M. A.; Adshead, S. J.; Mandal, P. K.; Kilner, C. A.; Leach, A. G.; Turnbull, W. B. Chem. Eur. J.2012, 18, 2987-2997.

41) “Do Glycosyl Sulfonium Ions Engage in Neighbouring-Group Participation? A Study of Oxathiane Glycosyl Donors and the Basis for their Stereoselectivity”
Fascione, M. A.; Kilner, C. A.; Leach, A. G.; Turnbull, W. B. Chem. Eur. J.2012, 18, 321-333.

40) “Discovery, optimisation and in vivo evaluation of novel GPR119 agonists”
Brocklehurst, K. J.; Broo, A.; Butlin, R. J.; Brown, H. S.; Clarke, D. S.; Davidsson, Ö.; Goldberg, K.; Groombridge, S. D.; Kelly, E. E.; Leach, A.; McKerrecher, D.; O’Donnell, C.; Poucher, S.; Schofield, P.; Scott, J. S.; Teague, J.; Westgate, L.; Wood, M. J. M Bioorg. Med. Chem. Lett.2011, 21, 7310-7316.

39) “Matched Molecular Pairs as a Medicinal Chemistry Tool”
Griffen, E.; Leach, A. G.*; Robb, G. R.; Warner, D. J. J. Med. Chem.2011, 54, 7739-7750.

38) “The Discovery of Benzanilides as c-Met Receptor Tyrosine Kinase Inhibitors by a Directed Screening approach”
Allen, J. V.; Bardelle, C.; Blades, K.; Buttar, D.; Chapman, L.; Colclough, N.; Dossetter, A. G.; Garner, A. P.; Girdwood, A.; Lambert, C.; Leach, A. G.; Law, B.; Major, J.; Plant, H.; Slater, A. M. Bioorg. Med. Chem. Lett.2011, 21, 5224-5229.

37) “Quantitatively Interpreted Enhanced Inhibition of Cytochrome P450s by Heteroaromatic Rings Containing Nitrogen”
Leach, A. G.*; Kidley, N. J. J. Chem. Inf. Model.2011, 51, 1048-1063.

36) “Neighbouring group participation vs. addition to oxacarbenium ions: studies on the synthesis of mycobacterial oligosaccharides.”
Stalford, S. A.; Kilner, C. A.; Leach, A. G.; Turnbull,  W. B. Org. Biomol. Chem.2009, 4842-4852.

35) “Stereoselective glycosylation using oxathiane glycosyl donors.”
Fascione, M. A.; Adshead, S. J.; Stalford, S. A.; Kilner, C. A.; Leach, A. G.; Turnbull,  W. B. Chem. Commun.2009, 5841-5843.

34) “Side Chain Flexibilities in the Human Ether-a-go-go Related Gene Potassium Channel (hERG) Together with Matched-Pair Binding Studies Suggest a New Binding Mode for Channel Blockers.”
Zachariae, U.; Giordanetto, F.; Leach, A. G. J. Med. Chem.2009, 52, 4266-4276.

33) “Reaction energies computed with density functional theory correspond with a whole organism effect; modelling the Ames test for mutagenicity.”
Leach, A. G.*; Cann, R.; Tomasi, S. Chem. Commun.2009, 1094-1096.

32) “Beyond Picomolar Affinities: Quantitative Aspects of Noncovalent and Covalent Binding of Drugs to Proteins.”
Smith, A. J. T.; Zhang, X.; Leach, A. G.; Houk, K. N. J. Med. Chem.2009, 52, 225-233.

31) “Inhibitors of the tyrosine kinase EphB4. Part 2: Structure-based discovery and optimisation of 3,5-bis substituted anilinopyrimidines.”
Bardelle, C.; Coleman, T.; Cross, D.; Davenport, S.; Kettle, J. G.; Ko, E. J.; Leach, A. G.; Mortlock, A.; Read, J.; Roberts, N. J.; Robins, P.; Williams, E. J. Bioorg. Med. Chem. Lett.2008, 18, 5717-5721.

30) “Theoretical Prediction of a Perepoxide Intermediate for the Reaction of Singlet Oxygen with trans-Cyclooctene Contrasts with the Two-Step No-Intermediate Ene Reaction for Acyclic Alkenes.”
Leach, A. G.; Houk, K. N.; Foote, C. S. J. Org. Chem.2008, 73, 8511–8519.

29) “Inhibitors of the tyrosine kinase EphB4. Part 1: Structure-based design and optimization of a series of 2,4-bis-anilinopyrimidines.”
Bardelle, C.; Cross, D.; Davenport, S.; Kettle, J. G.; Ko, E. J.; Leach, A.G.; Mortlock, A.; Read, J.; Roberts, N. J.; Robins, P.; Williams, E. J. Bioorg. Med. Chem. Lett.2008, 18, 2776-2780.

28) “Matched molecular pairs as a guide in the optimization of pharmaceutical properties; a study of aqueous solubility, plasma protein binding and oral exposure.”
Leach, A. G.*; Jones, H. D.; Cosgrove, D. A.; Kenny, P. W.; Ruston, L.; MacFaul, P.; Wood, J. M.; Colclough, N.; Law, B. J. Med. Chem.2006, 49, 6672-6682.

27) "Shapes of Antibody binding sites: Qualitative and quantitative analyses based on a geommorphic classification scheme."
Lee, M.; Lloyd, P.; Zhang, X.; Schallhorn, J. M.; Sugimoto, K.; Leach, A. G.; Sapiro, G.; Houk, K. N. J. Org. Chem.2006, 71, 5082-5092.

26) "Inhibitors of epidermal growth factor receptor tyrosine kinase: Novel C-5 substituted anilinoquinazolines designed to target the ribose pocket."
Ballard, P.; Bradbury, R. H.; Harris, C. S.; Hennequin, L. F. A.; Hickinson, M.; Johnson, P. D.; Kettle, J. G.; Klinowska, T.; Leach, A. G.; Morgentin, R.; Pass, M.; Ogilvie, D. J.; Olivier, A.; Warin, N.; Williams, E. J. Bioorg. Med. Chem. Lett.2006, 16, 1633-1637.

25) "Energy Contour Plots: Slices through the potential energy surface that simplify quantum mechanical studies of reacting systems."

Leach, A. G.*; Goldstein, E. J. Chem. Ed.2006, 83, 451-459.

24) "The origins of periselectivity and substituent effects in electrocyclizations of o-nitrosostyrenes: a computational study."
Leach, A. G.; Houk, K. N.; Davies, I. W. Synthesis2005, 3463-3467.

23) "Comparison of the ATP binding sites of protein kinases using conformationally diverse bisindolylmaleimides."
Bartlett, S.; Beddard, G. S.; Jackson, R. M.; Kayser, V.; Kilner, C.; Leach, A.; Nelson, A.; Oledzki, P. R.; Parker, P.; Reid, G. D.; Warriner, S. L. J. Am. Chem. Soc.2005, 127, 11699-11708.

22) "Antibody-Catalyzed Oxy-Cope Rearrangement: Mechanism and Origins of Catalysis and Stereoselectivity from DFT Quantum Mechanics and Flexible Docking."
Black, K. A.; Leach, A. G.; Kalani, M. Y. S.; Houk, K. N. J. Am. Chem. Soc.2004, 126, 9695-9708.

21) "Theoretical Investigation of the Origins of Catalysis of a Retro-Diels-Alder Reaction by Antibody 10F11."
Leach, A. G.; Houk, K. N.; Reymond, J.-L. J. Org. Chem.2004, 69, 3683-3692.

20) "Unexpected Syn Hydride Migration in the Non-aldol Aldol Reaction."
Jung, M. E.; van den Heuvel, A.; Leach, A. G.; Houk, K. N. Org. Lett.2003, 5, 3375-3378.

19) "A Standard Set of Pericyclic Reactions of Hydrocarbons for the Benchmarking of Computational Methods:  The Performance of Ab Initio, Density Functional, CASSCF, CASPT2, and CBS-QB3 Methods for the Prediction of Activation Barriers, Reaction Energetics, and Transition State Geometries."
Guner, V.; Khuong, K. S.; Leach, A. G.; Lee, P. S.; Bartberger, M. D.; Houk, K. N. J. Phys. Chem. A2003, 107, 11445-11459.

18) "A Cornucopia of Cycloadducts: Theoretical Predictions of the Mechanisms and Products of the Reactions of Cyclopentadiene with Cycloheptatriene."
Leach, A. G.; Goldstein, E.; Houk, K. N. J. Am. Chem. Soc.2003, 125, 8330-8339.

17) "Theoretical Studies of Antibody Catalysis," in Catalytic Antibodies, Ehud
Keinan, ed., Weinheim, Germany:  Wiley-VCH, 2004, pp. 72-117.

Dean J. Tantillo, Andrew G. Leach, Xiyun Zhang, and K. N. Houk.

16) "Binding Affinities of Host-Guest, Protein-Ligand, and Protein-Transition-State Complexes."
Houk, K. N.; Leach, A. G.; Kim, S. P.; Zhang, X. Angew. Chem. Int. Ed.2003, 42, 4872-4897.

15) "The Mechanism and Regioselectivity of the Ene Reactions of Nitroso Compounds: A Theoretical Study of Reactivity, Regioselectivity, and Kinetic Isotope Effects Establishes a Stepwise Path Involving Polarized Diradical Intermediates."
Leach, A. G.; Houk, K. N. Org. Biomol. Chem.2003, 1, 1389-1403.

14) "Theoretical Elucidation of Kinetic and Thermodynamic Control of Radical Addition Regioselectivity. "
Leach, A. G.; Wang, R.; Wohlhieter, G. E.; Khan, S. I.; Jung, M. E.; Houk, K. N. J. Am. Chem. Soc.2003, 125, 4271-4278.

13) "Mechanism of Ene Reactions of Singlet Oxygen.  A Two-Step No-Intermediate Mechanism."
Singleton, D. A.; Hang, C.; Szymanski, M. J.; Meyer, M. P.; Leach, A. G.; Kuwata, K. T.; Chen, J. S.; Greer, A.; Foote, C. S.; Houk, K. N. J. Am. Chem. Soc.2003, 125, 1319-1328.

12) "An Unexpected Bispericyclic Transition Structure Leading to 4+2 and 2+4 Cycloadducts in the Endo Dimerization of Cyclopentadiene"
Leach, A. G.; Houk, K. N. Chemtracts-Organic Chemistry  2002, 611-616.

11) "The Ene Reactions of Nitroso Compounds Involve Polarized Diradical Intermediates."
Leach, A. G.; Houk, K. N. J. Am. Chem. Soc.2002, 124, 14820-14821.

10) "The Origins of Non-covalent Catalysis of Intermolecular Diels-Alder Reactions by Cyclodextrins, Capsules, Antibodies and RNAses"
Kim, S. P.; Leach, A. G.; Houk, K. N. J. Org. Chem.2002, 67, 4250-4260.

9) "Hetero-Diels-Alder and hetero-ene reactions of singlet oxygen, nitroso compounds and triazolinediones: transition states and mechanisms from contemporary theory."
Leach, A. G.; Houk, K. N. Chem. Comm.2002, 1243-1255.

8) "Mechanism of the Forbidden [3s,5s]-Sigmatropic Shift.  Orbital Symmetry Influences Stepwise Mechanisms Involving Diradical Intermediates."
Leach, A. G.; Catak, S.; Houk, K. N. Chem. Eur. J.2002, 8, 1290-1299.

7) "New Polyethylene Glycol Polymers As Ketal Protecting Groups - A Polymer Supported Approach to Symmetrically Substituted Spiroketals"
Haag, R.; Leach, A. G.; Ley, S. V.; Nettekoven, M.; Schnaubelt, J. Synth. Comm.2001, 31, 2965-2977.

6) "Transition States and Mechanisms of the Hetero-Diels-Alder Reactions of Hyponitrous Acid, Nitrosoalkanes, Nitrosoarenes and Nitrosocarbonyl Compounds"
Leach, A. G.; Houk, K. N. J. Org. Chem.2001, 66, 5192-5200.

5) "A polymer-supported thionating reagent"
Ley, S. V.; Leach, A. G.; Storer, R. I. J. Chem. Soc., Perkin Trans.2001, 1, 358-361.

4) "Multi-step organic synthesis using solid-supported reagents and scavengers: a new paradigm in chemical library generation"
Ley, S. V.; Baxendale, I. R.; Bream, R. N.; Jackson, P. S.; Leach, A. G.; Longbottom, D. A.; Nesi, M.; Scott, J. S.; Storer, R. I.; Taylor, S. J. J. Chem. Soc., Perkin Trans.2000, 1, 3815-4195.

3) "The First Optically Active BINOL-BINAP Copolymer Catalyst: Highly Stereoselective Tandem Asymmetric Reactions"
Houk, K. N.; Leach, A. G. Chemtracts-Organic Chemistry2000, 13, 633-638.

2) "Combined Application of Analytical Techniques for the Characterization of Polymer Supported Species"
Grice, P; Leach, A. G.; Ley, S. V.; Massi, A.; Mynett, D. M. J. Comb. Chem.2000, 2, 491-495.

1)"Rapid conformation searching .2. Similar compounds"
Goodman, J. M.; Leach, A. G. J. Chem. Soc., Perkin Trans1997, 2, 1205-1208.

Also 12 patents.