Andrew G. Leach

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Tactics to Avoid Inhibition of Cytochrome P450s

Andrew G. Leach, A. Leach, 2013 .

Diels—Alder and Ene Reactions of Singlet Oxygen, Nitroso Compounds and Triazolinediones: Transition States and Mechanisms from Contemporary Theory

Andrew G. Leach, Kendall N. Houk, 2002 .

Achieving improved permeability by hydrogen bond donor modulation in a series of MGAT2 inhibitors

Philip A. MacFaul, Graeme R. Robb, Andrew G. Leach, 2013 .

Multi-step organic synthesis using solid-supported reagents and scavengers: a new paradigm in chemical library generation

Steven V. Ley, R. Ian Storer, Andrew G. Leach, 2000 .

Binding Affinities of Host—Guest, Protein—Ligand, and Protein—Transition-State Complexes

Andrew G. Leach, Kendall N. Houk, K. Houk, 2004 .

Cytochrome P450 Substrate Recognition and Binding

Andrew G. Leach, Nathan J. Kidley, A. Leach, 2014 .

A polymer-supported thionating reagent

Steven V. Ley, R. Ian Storer, Andrew G. Leach, 2001 .

Enantiomeric pairs reveal that key medicinal chemistry parameters vary more than simple physical property based models can explain

Alfred A. Rabow, Andrew G. Leach, A. Rabow, 2012 .

Peptide based drug delivery systems to the brain

Andrew G. Leach, T. Ehtezazi, S. Pluchino, 2020, Nano Express.

Protodeboronation of (Hetero)Arylboronic Esters: Direct versus Prehydrolytic Pathways and Self-/Auto-Catalysis.

Andrew G. Leach, A. Leach, G. Lloyd‐Jones, 2021, Journal of the American Chemical Society.

Base-Catalyzed Aryl-B(OH)2 Protodeboronation Revisited: From Concerted Proton Transfer to Liberation of a Transient Aryl Anion.

Andrew G. Leach, P. Cox, A. Leach, 2017, Journal of the American Chemical Society.

Protodeboronation of Heteroaromatic, Vinyl, and Cyclopropyl Boronic Acids: pH-Rate Profiles, Autocatalysis, and Disproportionation.

Andrew G. Leach, P. Cox, A. Leach, 2016, Journal of the American Chemical Society.

The Pathological Effects of Circulating Hydrophobic Bile Acids in Alzheimer’s Disease

Andrew G. Leach, T. Ehtezazi, K. Rahman, 2023, Journal of Alzheimer's disease reports.

Trialkylammonium salt degradation: implications for methylation and cross-coupling†

Andrew G. Leach, A. Leach, M. Reid, 2021, Chemical science.

Tuning the Binding Affinity and Selectivity of Perfluoroaryl-Stapled Peptides by Cysteine-Editing.

Andrew G. Leach, M. Noble, A. Leach, 2018, Chemistry.

Binding affinities of host-guest, protein-ligand, and protein-transition-state complexes.

Andrew G. Leach, K N Houk, Andrew G Leach, 2003, Angewandte Chemie.

Identification, optimisation and in vivo evaluation of oxadiazole DGAT-1 inhibitors for the treatment of obesity and diabetes.

Andrew G. Leach, A. Plowright, Robert D. M. Davies, 2012, Bioorganic & medicinal chemistry letters.

Chemists: AI is here, unite to get the benefits.

Andrew G. Leach, E. Griffen, A. Dossetter, 2020, Journal of medicinal chemistry.

Matched molecular pair analysis in drug discovery.

Andrew G. Leach, Andrew G Leach, A. Leach, 2013, Drug discovery today.

Development of Brain Targeting Peptide Based MMP-9 Inhibiting Nanoparticles for the Treatment of Brain Diseases with Elevated MMP-9 Activity.

Andrew G. Leach, T. Ehtezazi, S. Pluchino, 2020, Journal of pharmaceutical sciences.

Stereoselective glycosylation using oxathiane glycosyl donors.

Andrew G. Leach, A. Leach, W. Turnbull, 2009, Chemical communications.

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.

Peter Ballard, Andrew G. Leach, Jason G Kettle, 2013, Journal of medicinal chemistry.

Kinetics and Mechanism of the Arase-Hoshi R2BH-Catalyzed Alkyne Hydroboration: Alkenylboronate generation via B-H/C-B Metathesis.

Stephen P. Thomas, Andrew G. Leach, A. Leach, 2019, Journal of the American Chemical Society.

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.

Andrew G. Leach, A. Cashmore, T. Ehtezazi, 2020, Journal of pharmaceutical sciences.

Design and synthesis of a novel series of cyclohexyloxy-pyridyl derivatives as inhibitors of diacylglycerol acyl transferase 1

Andrew G. Leach, A. Plowright, M. Waring, 2013 .

Racemisation in Chemistry and Biology.

Andrew G. Leach, N. Buurma, D. Cosgrove, 2019, Chemistry.

Beyond picomolar affinities: quantitative aspects of noncovalent and covalent binding of drugs to proteins.

Andrew G. Leach, K. Houk, Adam J. Smith, 2009, Journal of medicinal chemistry.

Discovery of an inhibitor of DNA-driven inflammation that preferentially targets the AIM2 inflammasome

Andrew G. Leach, D. Brough, A. Leach, 2023, iScience.

Discovery of an AIM2 inflammasome inhibitor for the treatment of DNA-driven inflammatory disease

Andrew G. Leach, D. Brough, A. Leach, 2022, bioRxiv.

The problem of racemization in drug discovery and tools to predict it

Andrew G. Leach, N. Buurma, D. Cosgrove, 2019, Expert opinion on drug discovery.

Optimisation of biphenyl acetic acid inhibitors of diacylglycerol acetyl transferase 1 – the discovery of AZD2353

Andrew G. Leach, M. Waring, P. Macfaul, 2013 .

Physiological and Pathological Factors Affecting Drug Delivery to the Brain by Nanoparticles

Andrew G. Leach, T. Ehtezazi, S. Pluchino, 2021, Advanced science.

Design, synthesis and evaluation of tryptophan analogues as tool compounds to study IDO1 activity

Andrew G. Leach, J. Gordon, T. Jowitt, 2021, RSC chemical biology.

Can we accelerate medicinal chemistry by augmenting the chemist with Big Data and artificial intelligence?

Andrew G. Leach, Andrew G Leach, Shane Montague, 2018, Drug discovery today.

Predicting protein–ligand binding affinity and correcting crystal structures with quantum mechanical calculations: lactate dehydrogenase A† †Electronic supplementary information (ESI) available: xyz coordinates for theoceptor complexes, and additional information as noted in the text. See DOI: 10.10

Andrew G. Leach, J. Madden, A. Leach, 2019, Chemical science.

Protein-ligand crystal structures can guide the design of selective inhibitors of the FGFR tyrosine kinase.

Andrew G. Leach, J. Breed, D. M. Andrews, 2012, Journal of medicinal chemistry.

Rationally designing safer anilines: the challenging case of 4-aminobiphenyls.

Andrew G. Leach, A. Leach, A. Birch, 2012, Journal of medicinal chemistry.

Inhibitors of the tyrosine kinase EphB4. Part 2: structure-based discovery and optimisation of 3,5-bis substituted anilinopyrimidines.

Jon Read, Andrew G. Leach, Andrew G Leach, 2008, Bioorganic & medicinal chemistry letters.

Inhibitors of epidermal growth factor receptor tyrosine kinase: Novel C-5 substituted anilinoquinazolines designed to target the ribose pocket.

Andrew G. Leach, Paul D. Johnson, R. Morgentin, 2006, Bioorganic & medicinal chemistry letters.

Transition states and mechanisms of the hetero-Diels-Alder reactions of hyponitrous acid, nitrosoalkanes, nitrosoarenes, and nitrosocarbonyl compounds.

Andrew G. Leach, K. Houk, A. Leach, 2001, The Journal of organic chemistry.

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

Andrew G. Leach, U. Zachariae, A. Leach, 2022, Journal of medicinal chemistry.

Derivatisation of parthenolide to address chemoresistant chronic lymphocytic leukaemia

Andrew G. Leach, T. Stankovic, L. Male, 2019, MedChemComm.

Variation of Enzyme and Cellular Potency with Substituents R 1 , R 2 , and R 3 As Indicated

Andrew G. Leach, J. Breed, D. M. Andrews, 2012 .

Diels-Alder and ene reactions of singlet oxygen, nitroso compounds and triazolinediones: transition states and mechanisms from contemporary theory.

Andrew G. Leach, K N Houk, Andrew G Leach, 2002, Chemical communications.

Mechanism of the forbidden [3s,5s]-sigmatropic shift: orbital symmetry influences stepwise mechanisms involving diradical intermediates.

Andrew G. Leach, K. Houk, S. Catak, 2002, Chemistry.

Comparison of the ATP binding sites of protein kinases using conformationally diverse bisindolylmaleimides.

Andrew G. Leach, R. Jackson, Veysel Kayser, 2005, Journal of the American Chemical Society.

Enhancing the kinetics of hydrazone exchange processes: an experimental and computational study.

Andrew G. Leach, B. Horrocks, Milene Dalmina, 2019, Organic & biomolecular chemistry.

Matched molecular pairs as a guide in the optimization of pharmaceutical properties; a study of aqueous solubility, plasma protein binding and oral exposure.

Andrew G. Leach, Andrew G Leach, David A Cosgrove, 2006, Journal of medicinal chemistry.

Matched molecular pairs as a medicinal chemistry tool.

Daniel J. Warner, Andrew G. Leach, A. Leach, 2011, Journal of medicinal chemistry.

Mechanism of ene reactions of singlet oxygen. A two-step no-intermediate mechanism.

Andrew G. Leach, M. P. Meyer, K. Houk, 2003, Journal of the American Chemical Society.

Heavy-Atom Kinetic Isotope Effects: Primary Interest or Zero Point?

Andrew G. Leach, A. Leach, G. Lloyd‐Jones, 2021, Journal of the American Chemical Society.

Matched Molecular Pair Analysis

Andrew G. Leach, Alexander G. Dossetter, A. Leach, 2017 .

Inhibitors of the tyrosine kinase EphB4. Part 1: Structure-based design and optimization of a series of 2,4-bis-anilinopyrimidines.

Jon Read, Andrew G. Leach, Andrew G Leach, 2008, Bioorganic & medicinal chemistry letters.

Predicting protein–ligand binding affinity and correcting crystal structures with quantum mechanical calculations: lactate dehydrogenase A

Andrew G. Leach, J. Madden, S. St-Gallay, 2019, Chemical science.

Turbocharging Matched Molecular Pair Analysis: Optimizing the Identification and Analysis of Pairs

Andrew G. Leach, S. Enoch, J. Madden, 2017, J. Chem. Inf. Model..

Predicting the activity and toxicity of new psychoactive substances: a pharmaceutical industry perspective.

Andrew G. Leach, Andrew G Leach, A. Leach, 2014, Drug testing and analysis.

Free-Wilson and structural approaches to co-optimizing human and rodent isoform potency for 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors.

Andrew G. Leach, James S. Scott, Frederick W. Goldberg, 2012, Journal of medicinal chemistry.

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.

Andrew G. Leach, Hayley S. Brown, D. Laber, 2012, Journal of medicinal chemistry.

Quantitatively Interpreted Enhanced Inhibition of Cytochrome P450s by Heteroaromatic Rings Containing Nitrogen

Andrew Leach, Andrew G. Leach, Nathan J. Kidley, 2011, J. Chem. Inf. Model..

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.

Andrew G. Leach, U. Zachariae, F. Giordanetto, 2009, Journal of medicinal chemistry.

Learning Medicinal Chemistry Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) Rules from Cross-Company Matched Molecular Pairs Analysis (MMPA).

Jérôme Hert, Christian Kramer, Martin Stahl, 2017, Journal of medicinal chemistry.

Shapes of antibody binding sites: qualitative and quantitative analyses based on a geomorphic classification scheme.

Guillermo Sapiro, Andrew G. Leach, K N Houk, 2006, The Journal of organic chemistry.

A monomeric form of iNOS can rationalise observed SAR for inhibitors of dimerisation: quantum mechanics and docking compared

Daniel J. Warner, Andrew G. Leach, Lise-Lotte Olsson, 2013 .

Oxadiazole isomers: all bioisosteres are not created equal

Andrew G. Leach, James S. Scott, P. Macfaul, 2012 .

Optimisation of aqueous solubility in a series of G protein coupled receptor 119 (GPR119) agonists

Andrew G. Leach, Hayley S. Brown, James S. Scott, 2013 .

Catalytic Enantioselective Synthesis of Heterocyclic Vicinal Fluoroamines by Using Asymmetric Protonation: Method Development and Mechanistic Study

Andrew G. Leach, A. Slawin, A. Leach, 2020, Chemistry.

Discovery, optimisation and in vivo evaluation of novel GPR119 agonists.

Andrew G. Leach, Hayley S. Brown, James S. Scott, 2011, Bioorganic & medicinal chemistry letters.

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

Andrew G. Leach, A. Leach, G. Lloyd‐Jones, 2022, Accounts of chemical research.

A mechanistic proposal for the protodeboronation of neat boronic acids: boronic acid mediated reaction in the solid state.

Andrew G. Leach, A. Leach, G. Noonan, 2015, Organic & biomolecular chemistry.

Difluorocarbene Generation from TMSCF3: Kinetics and Mechanism of NaI-Mediated, and Si-Induced, Anionic Chain Reactions.

Andrew G. Leach, A. Leach, G. Lloyd‐Jones, 2020, Journal of the American Chemical Society.

Anion-Initiated Trifluoromethylation by TMSCF3: Deconvolution of the Siliconate–Carbanion Dichotomy by Stopped-Flow NMR/IR

Andrew G. Leach, A. Leach, M. Reid, 2018, Journal of the American Chemical Society.

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

Andrew G. Leach, K. Houk, V. Güner, 2003 .

The discovery of benzanilides as c-Met receptor tyrosine kinase inhibitors by a directed screening approach.

Andrew G. Leach, J. Major, D. Buttar, 2011, Bioorganic & medicinal chemistry letters.

Circumventing seizure activity in a series of G protein coupled receptor 119 (GPR119) agonists.

Andrew G. Leach, Hayley S. Brown, D. Laber, 2014, Journal of medicinal chemistry.

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.

Andrew G. Leach, K. Houk, A. Leach, 2003, Organic & biomolecular chemistry.

Quantitative Prediction of Rate Constants for Aqueous Racemization To Avoid Pointless Stereoselective Syntheses

Andrew G. Leach, N. Buurma, D. Cosgrove, 2017, Angewandte Chemie.

Fragment-oriented synthesis: β-elaboration of cyclic amine fragments using enecarbamates as platform intermediates.

Andrew G. Leach, S. Marsden, A. Nelson, 2020, Chemical communications.

Catalytic Enantioselective Synthesis of α-Chiral Azaheteroaryl Ethylamines by Asymmetric Protonation.

Andrew G. Leach, A. Leach, Calum W. Muir, 2018, Angewandte Chemie.

Palladium and Platinum 2,4-cis-amino Azetidine and Related Complexes

Andrew G. Leach, L. Male, J. Fossey, 2018, Front. Chem..