Andrew Leach

2022

A Lewis Base Nucleofugality Parameter, NBF, 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., 7 Jan 2022, In: The Journal of organic chemistry. p. 721–729

Research output: Contribution to journal › Article › peer-review

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., 16 Mar 2022, In: Chemistry – A European Journal. 28, 16, e202200060.

Research output: Contribution to journal › Article › peer-review

Open Access

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

Gurvic, D., Leach, A. G. & Zachariae, U., 28 Apr 2022, In: Journal of Medicinal Chemistry. 65, 8, p. 6088-6099 12 p.

Research output: Contribution to journal › Article › peer-review

Open Access

Enantiomer stability of atropisomeric 1,5-disubstituted 1,2,3-triazoles

Meloni, F., Brittain, W. D. G., Male, L., Duff, C. S. L., Buckley, B. R., Leach, A. G. & Fossey, J. S., Mar 2022, In: Tetrahedron Chem.

Research output: Contribution to journal › Article › peer-review

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., 3 May 2022, In: Accounts of Chemical Research. 55, 9, p. 1324-1336 13 p.

Research output: Contribution to journal › Article › peer-review

Open Access

2021

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., 13 Sep 2021, In: RSC Chemical Biology.

Research output: Contribution to journal › Article › peer-review

Open Access

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

Dale, H. J. A., Leach, A. G. & Lloyd-Jones, G. C., 22 Dec 2021, In: Journal of the American Chemical Society. 143, 50, p. 21079-21099 21 p.

Research output: Contribution to journal › Article › peer-review

Open Access

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., 23 Mar 2021, In: Journal of Chemical Information and Modeling. 61, 4, p. 1859–1874

Research output: Contribution to journal › Article › peer-review

Open Access

File

41 Downloads (Pure)

Microwave-assisted synthesis of 4-oxo-2-butenoic acids by aldol-condensation of glyoxylic acid

Uguen, M., Gai, C., Sprenger, L. J., Liu, H., Leach, A. G. & Waring, M. J., 5 Oct 2021, In: RSC Advances. 11, p. 30229-30236

Research output: Contribution to journal › Article › peer-review

Open Access

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., Teixidò, M. & Ehtezazi, T., 15 Mar 2021, In: Advanced Science.

Research output: Contribution to journal › Article › peer-review

Open Access

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

Hayes, H. L. D., Wei, R., Assante, M., Geogheghan, K. J., Jin, N., Tomasi, S., Noonan, G., Leach, A. G. & Lloyd-Jones, G. C., 15 Sep 2021, In: Journal of the American Chemical Society. 143, 36, p. 14814–14826

Research output: Contribution to journal › Article › peer-review

Open Access

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., 13 Apr 2021, In: Chemical Science. 12, p. 6949-6963

Research output: Contribution to journal › Article › peer-review

Open Access

2020

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., 15 Jun 2020, In: Chemistry: A European Journal .

Research output: Contribution to journal › Article › peer-review

Open Access

Chemists: AI Is Here; Unite To Get the Benefits

Griffen, E. J., Dossetter, A. G. & Leach, A. G., 2020, In: Journal of Medicinal Chemistry.

Research output: Contribution to journal › Article › peer-review

Open Access

File

314 Downloads (Pure)

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

Islam, Y., Aneesa, K., Pluchino, S., Sivakumaran, M., Teixidò, M., Leach, A., Fatokun, A. A., Downing, J., Coxon, C. & Ehtezazi, T., 2020, In: Journal of Pharmaceutical Sciences.

Research output: Contribution to journal › Article › peer-review

Open Access

File

44 Downloads (Pure)

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., Johnston, C. P., Cumming, G. G., Leach, A. G. & Lloyd-Jones, G. C., 13 Aug 2020, In: Journal of the American Chemical Society. 142, 34, p. 14649-14663 15 p.

Research output: Contribution to journal › Article › peer-review

Open Access

File

32 Downloads (Pure)

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

Trindade, A. F., Faulkner, E. L., Leach, A. G., Nelson, A. & Marsden, S. P., 6 Jul 2020, In: Chemical communications (Cambridge, England).

Research output: Contribution to journal › Article › peer-review

Open Access

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., 23 Mar 2020, In: Chemistry – A European Journal.

Research output: Contribution to journal › Article › peer-review

Open Access

File

1335 Downloads (Pure)

2019

Derivatisation of parthenolide to address chemoresistant chronic lymphocytic leukaemia

Li, X., Payne, D. T., Ampolu, B., Bland, N., Brown, J. T., Dutton, M. J., Fitton, C. A., Gulliver, A., Hale, L., Hamza, D., Jones, G., Lane, R., Leach, A. G., Male, L., Merisor, E. G., Morton, M. J., Quy, A. S., Roberts, R., Scarll, R., Schulz-Utermoehl, T., & 4 othersStankovic, T., Stevenson, B., Fossey, J. S. & Agathanggelou, A., 1 Aug 2019, In: MedChemComm. 10, 8, p. 1379-1390

Research output: Contribution to journal › Article › peer-review

Open Access

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

Higgs, P. L., Ruiz-Sanchez, A. J., Dalmina, M., Horrocks, B. R., Leach, A. G. & Fulton, D. A., 28 Mar 2019, In: Organic & biomolecular chemistry. 17, 12, p. 3218-3224

Research output: Contribution to journal › Article › peer-review

Open Access

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

Nieto-Sepulveda, E., Bage, A. D., Evans, L. A., Hunt, T. A., Leach, A. G., Thomas, S. P. & Lloyd-Jones, G. C., 20 Nov 2019, In: Journal of the American Chemical Society. 141, 46, p. 18600-18611 12 p.

Research output: Contribution to journal › Article › peer-review

Open Access

File

63 Downloads (Pure)

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., 21 Feb 2019, In: Chemical Science. 10, 7, p. 2218-2227

Research output: Contribution to journal › Article › peer-review

Open Access

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

Ballard, A., Narduolo, S., Ahmad, H. O., Cosgrove, D. A., Leach, A. G. & Buurma, N. J., 3 Jun 2019, In: Expert Opinion on Drug Discovery. 14, 6, p. 527-539

Research output: Contribution to journal › Review article › peer-review

Open Access

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

Verhoork, S. J. 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., 2 Jan 2019, In: Chemistry-A European Journal. 25, 1, p. 177-182

Research output: Contribution to journal › Article › peer-review

Open Access

2018

An investigation into drug partitioning behaviour in simulated pulmonary surfactant monolayers with associated molecular modelling

Davies, M. J., Leach, A. G. & Riley, F., Mar 2018, In: Surface and Interface Analysis. 50, 3, p. 369-377

Research output: Contribution to journal › Article › peer-review

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., 5 Sep 2018, In: Journal of the American Chemical Society. 140, 35, p. 11112-11124

Research output: Contribution to journal › Article › peer-review

Open Access

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., Jul 2018, In: Drug discovery today. 23, 7, p. 1373-1384

Research output: Contribution to journal › Review article › peer-review

Open Access

Catalytic Enantioselective Synthesis of alpha-Chiral Azaheteroaryl Ethylamines by Asymmetric Protonation

Xu, C., Muir, C. W., Leach, A. G., Kennedy, A. R. & Watson, A. J. B., 27 Aug 2018, In: ANGEWANDTE CHEMIE-INTERNATIONAL EDITION. 57, 35, p. 11374-11377

Research output: Contribution to journal › Article › peer-review

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

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., 26 Apr 2018, In: Journal of Medicinal Chemistry. 61, 8, p. 3277-3292

Research output: Contribution to journal › Article › peer-review

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

Yoshizawa, A., Feula, A., Leach, A. G., Male, L. & Fossey, J. S., 21 Jun 2018, In: Frontiers in Chemistry. 6

Research output: Contribution to journal › Article › peer-review

Open Access

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

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., 22 Jan 2018, In: ANGEWANDTE CHEMIE-INTERNATIONAL EDITION. 57, 4, p. 982-985

Research output: Contribution to journal › Article › peer-review

Rigid and concave, 2,4-cis-substituted azetidine derivatives: A platform dfor asymmetric catalysis

Yoshizawa, A., Feula, A., Male, L., Leach, A. G. & Fossey, J. S., 25 Apr 2018, In: Scientific Reports. 8

Research output: Contribution to journal › Article › peer-review

Open Access

2017

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

Cox, P. A., Reid, M., Leach, A. G., Campbell, A. D., King, E. J. & Lloyd-Jones, G. C., 20 Sep 2017, In: Journal of the American Chemical Society. 139, 37, p. 13156-13165

Research output: Contribution to journal › Article › peer-review

Open Access

Crystallisation of aspirin via simulated pulmonary surfactant monolayers and lung-specific additives

Davies, M. J., Taylor, Z., Leach, A. G., Ren, J. & Gibbons, P., Sep 2017, In: Surface and Interface Analysis. 49, 9, p. 864-872

Research output: Contribution to journal › Article › peer-review

Open Access

Matched Molecular Pair Analysis

Leach, A. G., Lukac, I., Zarnecka, J. M., Dossetter, A. G. & Griffen, E. J., 3 Jun 2017, Comprehensive Medicinal Chemistry III. Elsevier BV, Vol. 3. p. 221-252 32 p.

Research output: Chapter in Book/Report/Conference proceeding › Chapter › peer-review

The pH dependent interaction between nicotine and simulated pulmonary surfactant monolayers with associated molecular modelling

Davies, M. J., Leach, A. G., Fullwood, D., Mistry, D. & Hope, A., Sep 2017, In: Surface and Interface Analysis. 49, 9, p. 919-927

Research output: Contribution to journal › Article › peer-review

Open Access

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

Lukac, I., Zarnecka, J., Griffen, E. J., Dossetter, A. G., St-Gallay, S. A., Enoch, S. J., Madden, J. C. & Leach, A. G., 23 Oct 2017, In: Journal of Chemical Information and Modeling. 57, 10, p. 2424-2436

Research output: Contribution to journal › Article › peer-review

2016

MIDA boronates are hydrolysed fast and slow by two different mechanisms

Gonzalez, J. A., Ogba, O. M., Morehouse, G. F., Rosson, N., Houk, K. N., Leach, A. G., Cheong, P. H. -Y., Burke, M. D. & Lloyd-Jones, G. C., Nov 2016, In: Nature Chemistry. 8, 11, p. 1067-1075

Research output: Contribution to journal › Article › peer-review

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

Cox, P. A., Leach, A. G., Campbell, A. D. & Lloyd-Jones, G. C., 27 Jul 2016, In: Journal of the American Chemical Society. 138, 29, p. 9145-9157

Research output: Contribution to journal › Article › peer-review

2015

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

Noonan, G. & Leach, A. G., 2015, In: Organic & biomolecular chemistry. 13, 9, p. 2555-2560 6 p.

Research output: Contribution to journal › Article › peer-review

Challenges in the Medicinal Chemical Optimization of Binding Kinetics

Waring, M. J., Leach, A. G. & Miller, D. C., 2 Jun 2015, Thermodynamics and Kinetics of Drug Binding. John Wiley & Sons Ltd, p. 191-210 20 p.

Research output: Chapter in Book/Report/Conference proceeding › Chapter › peer-review

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., Sep 2015, In: Molecular Informatics. 34, 9, p. 608-614 7 p.

Research output: Contribution to journal › Article › peer-review

Novel N-thiazolyl piperazine-1-carboxamide CCR2 antagonists - investigation of an unexpected reaction with glutathione

Cumming, J. G., MacFaul, P. A. & Leach, A. G., 2015, In: MedChemComm. 6, 12, p. 2140-2145 6 p.

Research output: Contribution to journal › Article › peer-review

Tactics to avoid inhibition of cytochrome P450s

Leach, A. G., 2015, Tactics in contemporary drug design. Meanwell, N. A. (ed.). Heidelberg, New York, Dordrecht, London: Springer Nature, Vol. 9. p. 107-158 52 p. (Topics in Medicinal Chemistry Series).

Research output: Chapter in Book/Report/Conference proceeding › Chapter › peer-review

2014

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., 13 Nov 2014, In: Journal of Medicinal Chemistry. 57, 21, p. 8984-8998

Research output: Contribution to journal › Article › peer-review

Cytochrome P450 Substrate Recognition and Binding

Leach, A. G. & Kidley, N. J., 25 Aug 2014, Drug Metabolism Prediction. John Wiley & Sons Ltd, p. 103-132 30 p.

Research output: Chapter in Book/Report/Conference proceeding › Chapter › peer-review

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

Leach, A. G., 2014, In: Drug Testing and Analysis. 6, 7-8, p. 739-745 7 p.

Research output: Contribution to journal › Article › peer-review

2013

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., Sep 2013, In: MedChemComm. 4, 9, p. 1305-1311 7 p.

Research output: Contribution to journal › Article › peer-review

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., Jan 2013, In: MedChemComm. 4, 1, p. 180-186 7 p.

Research output: Contribution to journal › Article › peer-review

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. J., Davies, R. D. M., Ertan, A., Gutierrez, P. M., Kemmitt, P. D., Leach, A. G., Svensson, P. H., Turnbull, A. V. & Waring, M. J., Jan 2013, In: MedChemComm. 4, 1, p. 151-158 7 p.

Research output: Contribution to journal › Article › peer-review

Andrew Leach

Research output

Search results