Liverpool Skylilne

Pharmacy and Biomolecular Sciences

Dr Andrew Leach

Dr Andrew Leach

Telephone: 0151 231 2404


Journal Articles

Griffen EJ, Dossetter AG, Leach AG, Montague S. 2018. Can we accelerate medicinal chemistry by augmenting the chemist with Big Data and artificial intelligence? Drug Discov Today, >DOI >Link

Davies M, Leach A, Riley F. 2018. An Investigation into Drug Partitioning Behaviour in Simulated Pulmonary Surfactant Monolayers with Associated Molecular Modelling Surface and Interface Analysis, :1-1 >DOI

Ballard A, Ahmad HO, Narduolo S, Rosa L, Chand N, Cosgrove DA, Varkonyi P, Asaad N, Tomasi S, Buurma NJ, Leach AG. 2018. Quantitative Prediction of Rate Constants for Aqueous Racemization To Avoid Pointless Stereoselective Syntheses Angewandte Chemie - International Edition, 57 :982-985 >DOI

Lukac I, Zarnecka J, Griffen EJ, Dossetter AG, St-Gallay SA, Enoch SJ, Madden JC, Leach AG. 2017. Turbocharging Matched Molecular Pair Analysis: Optimizing the Identification and Analysis of Pairs. J Chem Inf Model, 57 :2424-2436 >DOI >Link

Kramer C, Ting A, Zheng H, Hert J, Schindler T, Stahl M, Robb G, Crawford JJ, Blaney J, Montague S, Leach AG, Dossetter AG, Griffen EJ. 2017. Learning Medicinal Chemistry Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) Rules from Cross-Company Matched Molecular Pairs Analysis (MMPA). J Med Chem, >DOI >Link

Cox PA, Reid M, Leach AG, Campbell AD, King EJ, Lloyd-Jones GC. 2017. Base-catalyzed Aryl-B(OH)2 Protodeboronation Revisited: from Concerted Proton-Transfer to Liberation of a Transient Arylanion. J Am Chem Soc, >DOI >Link

Davies M, Leach AG, Fullwood DL, Mistry D, Hope A. 2017. The pH Dependent Interaction between Nicotine and Simulated Pulmonary Surfactant Monolayers with Associated Molecular Modelling Watts J. Surface and Interface Analysis, >DOI

Gonzalez JA, Ogba OM, Morehouse GF, Rosson N, Houk KN, Leach AG, Cheong PH-Y, Burke MD, Lloyd-Jones GC. 2016. MIDA boronates are hydrolysed fast and slow by two different mechanisms NATURE CHEMISTRY, 8 :1067-1075 >DOI >Link

Cox PA, Leach AG, Campbell AD, Lloyd-Jones GC. 2016. Protodeboronation of heteroaromatic, vinyl and cyclopropyl boronic acids: pH-rate profiles, auto-catalysis and disproportionation. Journal of the American Chemical Society,

Cumming JG, MacFaul PA, Leach AG. 2015. Novel N-thiazolyl piperazine-1-carboxamide CCR2 antagonists - investigation of an unexpected reaction with glutathione MEDCHEMCOMM, 6 :2140-2145 >DOI >Link

Barker C, Lukac I, Leach AG. 2015. Designing Hydroxamates and Reversed Hydroxamates to Inhibit Zinc-containing Proteases but not Cytochrome P450s: Insights from Quantum Mechanics and Protein-ligand Crystal Structures MOLECULAR INFORMATICS, 34 :608-614 >DOI

Noonan G, Leach AG. 2015. A mechanistic proposal for the protodeboronation of neat boronic acids: boronic acid mediated reaction in the solid state ORGANIC & BIOMOLECULAR CHEMISTRY, 13 :2555-2560 >DOI >Link

Leach AG, Kidley NJ. 2014. Cytochrome P450 Substrate Recognition and Binding :103-132 >DOI

Leach AG. 2014. Tactics to avoid inhibition of cytochrome P450s Topics in Medicinal Chemistry, 9 :107-158 >DOI

Scott JS, Bowker SS, Brocklehurst KJ, Brown HS, Clarke DS, Easter A, Ertan A, Goldberg K, Hudson JA, Kavanagh S, Laber D, Leach AG, MacFaul PA, Martin EA, McKerrecher D, Schofield P, Svensson PH, Teague J. 2014. Circumventing Seizure Activity in a Series of G Protein Coupled Receptor 119 (GPR119) Agonists JOURNAL OF MEDICINAL CHEMISTRY, 57 :8984-8998 >DOI

Leach AG. 2014. Predicting the activity and toxicity of new psychoactive substances: a pharmaceutical industry perspective. Drug Test Anal, 6 :739-745 >DOI >Link

Plowright AT, Barton P, Bennett S, Birch AM, Birtles S, Buckett LK, Butlin RJ, Davies RDM, Ertan A, Gutierrez PM, Kemmitt PD, Leach AG, Svensson PH, Turnbull AV, Waring MJ. 2013. Design and synthesis of a novel series of cyclohexyloxy-pyridyl derivatives as inhibitors of diacylglycerol acyl transferase 1 MedChemComm, 4 :151-158 >DOI

Scott JS, Berry DJ, Brown HS, Buckett L, Clarke DS, Goldberg K, Hudson JA, Leach AG, Macfaul PA, Raubo P, Robb G. 2013. Achieving improved permeability by hydrogen bond donor modulation in a series of MGAT2 inhibitors MedChemComm, 4 :1305-1311 >DOI

Leach AG, McCoull W, Bailey A, Barton P, Mee C, Rosevere E. 2013. Experimental testing of quantum mechanical predictions of mutagenicity: aminopyrazoles. Chem Res Toxicol, 26 :703-709 >DOI >Link

Dossetter AG, Griffen EJ, Leach AG. 2013. Matched molecular pair analysis in drug discovery. Drug Discov Today, 18 :724-731 >DOI >Link

Addie M, Ballard P, Buttar D, Crafter C, Currie G, Davies BR, Debreczeni J, Dry H, Dudley P, Greenwood R, Johnson PD, Kettle JG, Lane C, Lamont G, Leach A, Luke RWA, Morris J, Ogilvie D, Page K, Pass M, Pearson S, Ruston L. 2013. 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. J Med Chem, 56 :2059-2073 >DOI >Link

Waring MJ, Birch AM, Birtles S, Buckett LK, Butlin RJ, Campbell L, Gutierrez PM, Kemmitt PD, Leach AG, MacFaul PA, O'Donnell C, Turnbull AV. 2013. Optimisation of biphenyl acetic acid inhibitors of diacylglycerol acetyl transferase 1 - The discovery of AZD2353 MedChemComm, 4 :159-164 >DOI

Leach AG, Olsson LL, Warner DJ. 2013. A monomeric form of iNOS can rationalise observed SAR for inhibitors of dimerisation: Quantum mechanics and docking compared MedChemComm, 4 :180-186 >DOI

Scott JS, Birch AM, Brocklehurst KJ, Brown HS, Goldberg K, Groombridge SD, Hudson JA, Leach AG, MacFaul PA, McKerrecher D, Poultney R, Schofield P, Svensson PH. 2013. Optimisation of aqueous solubility in a series of G protein coupled receptor 119 (GPR119) agonists MedChemComm, 4 :95-100 >DOI

Goldberg FW, Birch AM, Leach AG, Groombridge SD, Snelson WL, Gutierrez PM, Hammond CD, Birtles S, Buckett LK. 2013. 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 MedChemComm, 4 :165-174 >DOI

Goldberg FW, Leach AG, Scott JS, Snelson WL, Groombridge SD, Donald CS, Bennett SNL, Bodin C, Gutierrez PM, Gyte AC. 2012. Free-Wilson and structural approaches to co-optimizing human and rodent isoform potency for 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors. J Med Chem, 55 :10652-10661 >DOI >Link

Cosgrove DA, Green KM, Leach AG, Poirrette A, Winter J. 2012. A system for encoding and searching Markush structures. J Chem Inf Model, 52 :1936-1947 >DOI >Link

Norman RA, Schott A-K, Andrews DM, Breed J, Foote KM, Garner AP, Ogg D, Orme JP, Pink JH, Roberts K, Rudge DA, Thomas AP, Leach AG. 2012. Protein-ligand crystal structures can guide the design of selective inhibitors of the FGFR tyrosine kinase. J Med Chem, 55 :5003-5012 >DOI >Link

McCoull W, Addie MS, Birch AM, Birtles S, Buckett LK, Butlin RJ, Bowker SS, Boyd S, Chapman S, Davies RDM, Donald CS, Green CP, Jenner C, Kemmitt PD, Leach AG, Moody GC, Gutierrez PM, Newcombe NJ, Nowak T, Packer MJ, Plowright AT, Revill J, Schofield P, Sheldon C, Stokes S, Turnbull AV, Wang SJY, Whalley DP, Wood JM. 2012. Identification, optimisation and in vivo evaluation of oxadiazole DGAT-1 inhibitors for the treatment of obesity and diabetes. Bioorg Med Chem Lett, 22 :3873-3878 >DOI >Link

Scott JS, Birch AM, Brocklehurst KJ, Broo A, Brown HS, Butlin RJ, Clarke DS, Davidsson O, Ertan A, Goldberg K, Groombridge SD, Hudson JA, Laber D, Leach AG, Macfaul PA, McKerrecher D, Pickup A, Schofield P, Svensson PH, Sörme P, Teague J. 2012. Use of small-molecule crystal structures to address solubility in a novel series of G protein coupled receptor 119 agonists: optimization of a lead and in vivo evaluation. J Med Chem, 55 :5361-5379 >DOI >Link

Birch AM, Groombridge S, Law R, Leach AG, Mee CD, Schramm C. 2012. Rationally designing safer anilines: the challenging case of 4-aminobiphenyls. J Med Chem, 55 :3923-3933 >DOI >Link

Fascione MA, Kilner CA, Leach AG, Turnbull WB. 2012. Do glycosyl sulfonium ions engage in neighbouring-group participation? A study of oxathiane glycosyl donors and the basis for their stereoselectivity. Chemistry, 18 :321-333 >DOI >Link

Fascione MA, Adshead SJ, Mandal PK, Kilner CA, Leach AG, Turnbull WB. 2012. Mechanistic studies on a sulfoxide transfer reaction mediated by diphenyl sulfoxide/triflic anhydride. Chemistry, 18 :2987-2997 >DOI >Link

Kirkham JD, Leach AG, Row EC, Harrity JPA. 2012. Investigation of the origins of regiochemical control in [4+2] cycloadditions of 2-pyrones and alkynylboronates Synthesis (Germany), 44 :1964-1973 >DOI

Leach AG, Pilling EA, Rabow AA, Tomasi S, Asaad N, Buurma NJ, Ballard A, Narduolo S. 2012. Enantiomeric pairs reveal that key medicinal chemistry parameters vary more than simple physical property based models can explain MedChemComm, 3 :528-540 >DOI

Goldberg K, Groombridge S, Hudson J, Leach AG, MacFaul PA, Pickup A, Poultney R, Scott JS, Svensson PH, Sweeney J. 2012. Oxadiazole isomers: All bioisosteres are not created equal MedChemComm, 3 :600-604 >DOI

Brocklehurst KJ, Broo A, Butlin RJ, Brown HS, Clarke DS, Davidsson Ö, Goldberg K, Groombridge SD, Kelly EE, Leach A, McKerrecher D, O'Donnell C, Poucher S, Schofield P, Scott JS, Teague J, Westgate L, Wood MJM. 2011. Discovery, optimisation and in vivo evaluation of novel GPR119 agonists. Bioorg Med Chem Lett, 21 :7310-7316 >DOI >Link

Griffen E, Leach AG, Robb GR, Warner DJ. 2011. Matched molecular pairs as a medicinal chemistry tool. J Med Chem, 54 :7739-7750 >DOI >Link

Allen JV, Bardelle C, Blades K, Buttar D, Chapman L, Colclough N, Dossetter AG, Garner AP, Girdwood A, Lambert C, Leach AG, Law B, Major J, Plant H, Slater AM. 2011. The discovery of benzanilides as c-Met receptor tyrosine kinase inhibitors by a directed screening approach. Bioorg Med Chem Lett, 21 :5224-5229 >DOI >Link

Leach AG, Kidley NJ. 2011. Quantitatively interpreted enhanced inhibition of cytochrome P450s by heteroaromatic rings containing nitrogen. J Chem Inf Model, 51 :1048-1063 >DOI >Link

Stalford SA, Kilner CA, Leach AG, Turnbull WB. 2009. Neighbouring group participation vs. addition to oxacarbenium ions: studies on the synthesis of mycobacterial oligosaccharides. Org Biomol Chem, 7 :4842-4852 >DOI >Link

Fascione MA, Adshead SJ, Stalford SA, Kilner CA, Leach AG, Turnbull WB. 2009. Stereoselective glycosylation using oxathiane glycosyl donors. Chem Commun (Camb), :5841-5843 >DOI >Link

Zachariae U, Giordanetto F, Leach AG. 2009. 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. J Med Chem, 52 :4266-4276 >DOI >Link

Leach AG, Cann R, Tomasi S. 2009. Reaction energies computed with density functional theory correspond with a whole organism effect; modelling the Ames test for mutagenicity. Chem Commun (Camb), :1094-1096 >DOI >Link

Smith AJT, Zhang X, Leach AG, Houk KN. 2009. Beyond picomolar affinities: quantitative aspects of noncovalent and covalent binding of drugs to proteins. J Med Chem, 52 :225-233 >DOI >Link

Bardelle C, Coleman T, Cross D, Davenport S, Kettle JG, Ko EJ, Leach AG, Mortlock A, Read J, Roberts NJ, Robins P, Williams EJ. 2008. Inhibitors of the tyrosine kinase EphB4. Part 2: structure-based discovery and optimisation of 3,5-bis substituted anilinopyrimidines. Bioorg Med Chem Lett, 18 :5717-5721 >DOI >Link

Leach AG, Houk KN, Foote CS. 2008. 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. J Org Chem, 73 :8511-8519 >DOI >Link

Bardelle C, Cross D, Davenport S, Kettle JG, Ko EJ, Leach AG, Mortlock A, Read J, Roberts NJ, Robins P, Williams EJ. 2008. Inhibitors of the tyrosine kinase EphB4. Part 1: Structure-based design and optimization of a series of 2,4-bis-anilinopyrimidines. Bioorg Med Chem Lett, 18 :2776-2780 >DOI >Link

Leach AG, Jones HD, Cosgrove DA, Kenny PW, Ruston L, MacFaul P, Wood JM, Colclough N, Law B. 2006. Matched molecular pairs as a guide in the optimization of pharmaceutical properties; a study of aqueous solubility, plasma protein binding and oral exposure. J Med Chem, 49 :6672-6682 >DOI >Link

Lee M, Lloyd P, Zhang X, Schallhorn JM, Sugimoto K, Leach AG, Sapiro G, Houk KN. 2006. Shapes of antibody binding sites: qualitative and quantitative analyses based on a geomorphic classification scheme. J Org Chem, 71 :5082-5092 >DOI >Link

Ballard P, Bradbury RH, Harris CS, Hennequin LFA, Hickinson M, Johnson PD, Kettle JG, Klinowska T, Leach AG, Morgentin R, Pass M, Ogilvie DJ, Olivier A, Warin N, Williams EJ. 2006. Inhibitors of epidermal growth factor receptor tyrosine kinase: Novel C-5 substituted anilinoquinazolines designed to target the ribose pocket. Bioorg Med Chem Lett, 16 :1633-1637 >DOI >Link

Leach AG, Goldstein E. 2006. Energy contour plots: Slices through the potential energy surface that simplify quantum mechanical studies of reacting systems Journal of Chemical Education, 83 :451-459

Bartlett S, Beddard GS, Jackson RM, Kayser V, Kilner C, Leach A, Nelson A, Oledzki PR, Parker P, Reid GD, Warriner SL. 2005. Comparison of the ATP binding sites of protein kinases using conformationally diverse bisindolylmaleimides. J Am Chem Soc, 127 :11699-11708 >DOI >Link

Leach AG, Houk KN, Davies IW. 2005. The origins of periselectivity and substituent effects in electrocyclizations of o-nitrosostyrenes: A computational study Synthesis, :3463-3467 >DOI

Black KA, Leach AG, Kalani MYS, Houk KN. 2004. Anti body-catalyzed oxy-cope rearrangement: Mechanism and origins of catalysis and stereoselectivity from DFT quantum mechanics and flexible docking JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 126 :9695-9708 >DOI

Leach AG, Houk KN, Reymond J-L. 2004. Theoretical investigation of the origins of catalysis of a retro-Diels-Alder reaction by antibody 10F11. J Org Chem, 69 :3683-3692 >DOI >Link

Black KA, Leach AG, Kalani MYS, Houk KN. 2004. Antibody-catalyzed oxy-cope rearrangement: mechanism and origins of catalysis and stereoselectivity from DFT quantum mechanics and flexible docking. J Am Chem Soc, 126 :9695-9708 >DOI >Link

Houk KN, Leach AG, Kim SP, Zhang X. 2003. Binding affinities of host-guest, protein-ligand, and protein-transition-state complexes. Angew Chem Int Ed Engl, 42 :4872-4897 >DOI >Link

Leach AG, Houk KN. 2003. 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. Org Biomol Chem, 1 :1389-1403 >Link

Jung ME, van den Heuvel A, Leach AG, Houk KN. 2003. Unexpected syn hydride migration in the non-aldol aldol reaction. Org Lett, 5 :3375-3378 >DOI >Link

Leach AG, Goldstein E, Houk KN. 2003. A cornucopia of cycloadducts: theoretical predictions of the mechanisms and products of the reactions of cyclopentadiene with cycloheptatriene. J Am Chem Soc, 125 :8330-8339 >DOI >Link

Leach AG, Wang R, Wohlhieter GE, Khan SI, Jung ME, Houk KN. 2003. Theoretical elucidation of kinetic and thermodynamic control of radical addition regioselectivity. J Am Chem Soc, 125 :4271-4278 >DOI >Link

Singleton DA, Hang C, Szymanski MJ, Meyer MP, Leach AG, Kuwata KT, Chen JS, Greer A, Foote CS, Houk KN. 2003. Mechanism of ene reactions of singlet oxygen. A two-step no-intermediate mechanism. J Am Chem Soc, 125 :1319-1328 >DOI >Link

Guner V, Khuong KS, Leach AG, Lee PS, Bartberger MD, Houk KN. 2003. 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 Journal of Physical Chemistry A, 107 :11445-11459 >DOI

Leach AG, Houk KN. 2002. The ene reactions of nitroso compounds involve polarized diradical intermediates. J Am Chem Soc, 124 :14820-14821 >Link

Leach AG, Houk KN. 2002. Diels-Alder and ene reactions of singlet oxygen, nitroso compounds and triazolinediones: transition states and mechanisms from contemporary theory. Chem Commun (Camb), :1243-1255 >Link

Kim SP, Leach AG, Houk KN. 2002. The origins of noncovalent catalysis of intermolecular Diels-Alder reactions by cyclodextrins, self-assembling capsules, antibodies, and RNAses. J Org Chem, 67 :4250-4260 >Link

Leach AG, Catak S, Houk KN. 2002. Mechanism of the forbidden [3s,5s]-sigmatropic shift: orbital symmetry influences stepwise mechanisms involving diradical intermediates. Chemistry, 8 :1290-1299 >Link

Leach AG, Houk KN. 2002. An unexpected bispericyclic transition structure leading to 4 + 2 and 2 + 4 cycloadducts in the endo dimerization of cyclopentadiene Chemtracts, 15 :611-616

Leach AG, Houk KN. 2001. Transition states and mechanisms of the hetero-Diels-Alder reactions of hyponitrous acid, nitrosoalkanes, nitrosoarenes, and nitrosocarbonyl compounds. J Org Chem, 66 :5192-5200 >Link

Ley SV, Leach AG, Storer RI. 2001. A polymer-supported thionating reagent Journal of the Chemical Society. Perkin Transactions 1, :358-361

Haag R, Leach AG, Ley SV, Nettekoven M, Schnaubelt J. 2001. New polyethylene glycol polymers as ketal protecting groups - A polymer supported approach to symmetrically substituted spiroketals Synthetic Communications, 31 :2965-2977 >DOI

Grice P, Leach AG, Ley SV, Massi A, Mynett DM. 2000. Combined application of analytical techniques for the characterization of polymer supported species J Comb Chem, 2 :491-495 >Link

Ley SV, Baxendale IR, Bream RN, Jackson PS, Leach AG, Longbottom DA, Nesi M, Scott JS, Storer RI, Taylor SJ. 2000. Multi-step organic synthesis using solid-supported reagents and scavengers: A new paradigm in chemical library generation Journal of the Chemical Society, Perkin Transactions 1, :3815-4195 >DOI

Houk KN, Leach AG. 2000. The first optically active BINOL-BINAP copolymer catalyst: Highly stereoselective tandem asymmetric reactions Chemtracts, 13 :633-638

Goodman JM, Leach AG. 1997. Rapid conformation searching. Part 2.1 Similar compounds Journal of the Chemical Society. Perkin Transactions 2, :1205-1208

Davies M, Taylor Z, Ren J, Leach A, Gibbons P. Crystallisation of Aspirin via Simulated Pulmonary Surfactant Monolayers and Lung-Specific Additives Surface and Interface Analysis, >DOI

Conference Publication (journal proceedings)

Shrestha S, Bautista J, Leach A, Dutton A. 2015. Tandem substitution-cyclization-elimination reaction that can account for the mutagenicity of arylamines without the need of nitrenium ions ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 249 >Link

Leach AG. 2014. Matched molecular pair analysis: The right tool for which job? ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 248th National Meeting of the American-Chemical-Society (ACS) 248 >Link

Leach AG, Griffen EJ, Dossetter AG. 2013. Multiparameter optimization of pharmaceuticals: The big-data way ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 246th National Meeting of the American-Chemical-Society (ACS) 246 >Link

Leach AG. 2013. Racemization: An integrated experimental-quantum mechanical-informatics approach ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 246th National Meeting of the American-Chemical-Society (ACS) 246

Leach AG, Noonan GM. 2013. Boronic acids as agents of their own destruction: Experimental and computational studies of protodeboronation provide a predictive model ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 246th National Meeting of the American-Chemical-Society (ACS) 246

Cosgrove DA, Winter J, Leach AG, Poirrette A, Green KM. 2012. Periscope system for encoding and searching chemical Markush structures ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 244th National Fall Meeting of the American-Chemical-Society (ACS) 244 >Link

Houk KN, Lee M, Schallhorn J, Sugimoto K, Leach AG. 2003. Geomorphic classification of antibody binding sites. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 225th National Meeting of the American-Chemical-Society 225 :U301-U301 >Link

Leach AG, Houk KN. 2002. Ene reactions of nitroso compounds: Theory reveals the intermediacy of a polarized diradical. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 224 :U166-U166 >Link

Leach AG, Houk KN, Kim SP, Chen JG, Zhang XY. 2002. Trends in the magnitude of binding constants: Substrate binding by enzymes and catalytic antibodies is unexceptional. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 224 :U122-U122 >Link

Islam Y, Leach A, Coxon C, Downing J, Platt M, Pluchino S, Ehtezazi T. Smart micellar systems for brain drug delivery. KTN Biopharmaceutical Formulation Group


Waring MJ, Leach AG, Miller DC. 2015. Challenges in the Medicinal Chemical Optimization of Binding Kinetics Thermodynamics and Kinetics of Drug Binding :191-210 9783527673025 >DOI

Leach AG, Tantillo DJ, Zhang X, Houk KN. 2006. Theoretical Studies of Antibody Catalysis Keinan E. Catalytic Antibodies Wiley-VCH 9783527605057


Kettle JG, Read J, Leach A, Barlaam BC, Ducray R, Lambert-Van DB. Pyrimidine derivatives as EphB4 inhibitors and their preparation, pharmaceutical compositions and use in the treatment of cancer.

Butlin RJ, Caulkett PWR, Johannesson P, Knerr LD, Leach A, Newcombe NJ, O'Donnell CJ, Pointon H, Wood JM. Preparation of sulfonamide derivatives for therapeutic use as fatty acid synthase inhibitors.

Butlin RJ, Caulkett PWR, Leach A, Newcombe NJ, O'Donnell CJ, Wood JM. Preparation of piperidine derivatives for the treatment of obesity.

Butlin RJ, Caulkett PWR, Leach A, Newcombe NJ, O'Donnell CJ, Wood JM. Preparation of piperidine derivatives for the treatment of obesity.

Woodhead SJ, Frederickson M, Hamlett C, Woodhead AJ, Verdonk ML, Sore HF, Walker DW, Blurton P, Collins I, Cheung KM, Caldwell J, Da FM, Luke RWA, Matusiak ZS, Leach A, Morris JJ. Preparation of substituted purine and purine analogs having protein kinase inhibiting activity.

Johnson PD, Leach A, Luke RWA, Matusiak ZS, Morris JJ. Preparation of pyrrolo[2,3-d]pyrimidine derivatives as protein kinase B inhibitors.

Bauer UA, Birch AM, Butlin RJ, Green C, Barlind JG, Hovland R, Johannesson P, Johansson JM, Leach A, Noeske AT, Petersson AU. Preparation of pyridine-2-carboxamides and pyrazine-2-carboxamides as DGAT1 inhibitors.

Gill AL, Leach A, Packer M, Scott JS, Sorme P, Swales JG, Whittamore PRO. Preparation of substituted pyrimidin-5-carboxamides as 11βHSD1 inhibitors for treating diabetes and obesity.

Birch AM, Butlin RJ, Campbell L, Green C, Leach A, Murray PM, Ryberg PO, Waring MJ. Preparation of pyrazine carboxamides as inhibitors of DGAT1.

Birch AM, Broo DA, Butlin RJ, Clarke DS, Davidsson OP, De LM, Johansson KE, Leach A, Macfaul PA, O'Donnell CJ, Scott JS, Whittamore PRO. 4-(Pyrimidin-2-yl)piperazine and 4-(pyrimidin-2-yl)piperidine derivatives as GPR119 modulators and their preparation and use in the treatment of obesity and diabetes mellitus.

Bennett SNL, Goldberg FW, Leach A, Whittamore PRO, Soerme P. Preparation of adamantyl iminocarbonyl-substituted pyrimidines as inhibitors of 11βHSD1.

Birch AM, Goldberg FW, Leach A. Preparation of 4-amino-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5(6)-one based DGAT1 inhibitors.

Engagement & Impact

External committees:

Committee name: UKQSAR and Chemoinformatics Group, Organisation: UKQSAR and Chemoinformatics Group, Position: Secretary then Chairman

Membership of professional bodies:

MRSC, Royal Society of Chemistry