Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators
Keune, Willem-Jan, Potjewyd, Frances, Heidebrecht, Tatjana, Salgado-Polo, Fernando, Macdonald, Simon J. F, Chelvarajan, Lakshman, Abdel Latif, Ahmed, Soman, Sony, Morris, Andrew J, Watson, Allan J. B, Jamieson, Craig, Perrakis, Anastassis
Published in Journal of medicinal chemistry (09.03.2017)
Published in Journal of medicinal chemistry (09.03.2017)
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Lead Optimization Using Matched Molecular Pairs: Inclusion of Contextual Information for Enhanced Prediction of hERG Inhibition, Solubility, and Lipophilicity
Papadatos, George, Alkarouri, Muhammad, Gillet, Valerie J, Willett, Peter, Kadirkamanathan, Visakan, Luscombe, Christopher N, Bravi, Gianpaolo, Richmond, Nicola J, Pickett, Stephen D, Hussain, Jameed, Pritchard, John M, Cooper, Anthony W. J, Macdonald, Simon J. F
Published in Journal of chemical information and modeling (25.10.2010)
Published in Journal of chemical information and modeling (25.10.2010)
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Structure-Based Design of a Novel Class of Autotaxin Inhibitors Based on Endogenous Allosteric Modulators
Clark, Jennifer M, Salgado-Polo, Fernando, Macdonald, Simon J. F, Barrett, Tim N, Perrakis, Anastassis, Jamieson, Craig
Published in Journal of medicinal chemistry (28.04.2022)
Published in Journal of medicinal chemistry (28.04.2022)
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Translational pharmacology of an inhaled small molecule αvβ6 integrin inhibitor for idiopathic pulmonary fibrosis
John, Alison E., Graves, Rebecca H., Pun, K. Tao, Vitulli, Giovanni, Forty, Ellen J., Mercer, Paul F., Morrell, Josie L., Barrett, John W., Rogers, Rebecca F., Hafeji, Maryam, Bibby, Lloyd I., Gower, Elaine, Morrison, Valerie S., Man, Yim, Roper, James A., Luckett, Jeni C., Borthwick, Lee A., Barksby, Ben S., Burgoyne, Rachel A., Barnes, Rory, Le, Joelle, Flint, David J., Pyne, Susan, Habgood, Anthony, Organ, Louise A., Joseph, Chitra, Edwards-Pritchard, Rochelle C., Maher, Toby M., Fisher, Andrew J., Gudmann, Natasja Stæhr, Leeming, Diana J., Chambers, Rachel C., Lukey, Pauline T., Marshall, Richard P., Macdonald, Simon J. F., Jenkins, R. Gisli, Slack, Robert J.
Published in Nature communications (16.09.2020)
Published in Nature communications (16.09.2020)
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Iridium-catalysed C-H borylation of β-aryl-aminopropionic acids
Robinson, Henry, Stillibrand, Joe, Simelis, Klemensas, Macdonald, Simon J. F, Nortcliffe, Andrew
Published in Organic & biomolecular chemistry (14.09.2020)
Published in Organic & biomolecular chemistry (14.09.2020)
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Development of Autotaxin Inhibitors: An Overview of the Patent and Primary Literature
Castagna, Diana, Budd, David C, Macdonald, Simon J F, Jamieson, Craig, Watson, Allan J B
Published in Journal of medicinal chemistry (23.06.2016)
Published in Journal of medicinal chemistry (23.06.2016)
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Molecular Simulation of αvβ6 Integrin Inhibitors
Guest, Ellen E, Oatley, Steven A, Macdonald, Simon J. F, Hirst, Jonathan D
Published in Journal of chemical information and modeling (23.11.2020)
Published in Journal of chemical information and modeling (23.11.2020)
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Writing Your Next Medicinal Chemistry Article: Journal Bibliometrics and Guiding Principles for Industrial Authors
Hatley, Richard J. D, Procopiou, Panayiotis A, McLachlan, Steven P, Westendorf, Laura E, Meanwell, Nicholas A, Ewing, William R, Macdonald, Simon J. F
Published in Journal of medicinal chemistry (10.12.2020)
Published in Journal of medicinal chemistry (10.12.2020)
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The developability of heteroaromatic and heteroaliphatic rings - do some have a better pedigree as potential drug molecules than others?
Ritchie, Timothy J, Macdonald, Simon J. F, Peace, Simon, Pickett, Stephen D, Luscombe, Christopher N
Published in MedChemComm (01.09.2012)
Published in MedChemComm (01.09.2012)
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One-Pot Homologation of Boronic Acids: A Platform for Diversity-Oriented Synthesis
Muir, Calum W., Vantourout, Julien C., Isidro-Llobet, Albert, Macdonald, Simon J. F., Watson, Allan J. B.
Published in Organic letters (18.12.2015)
Published in Organic letters (18.12.2015)
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Discovery of an Orally Bioavailable Pan αv Integrin Inhibitor for Idiopathic Pulmonary Fibrosis
Anderson, Niall A, Campos, Sebastien, Butler, Sharon, Copley, Royston C. B, Duncan, Ian, Harrison, Stephen, Le, Joelle, Maghames, Rosemary, Pastor-Garcia, Aleix, Pritchard, John M, Rowedder, James E, Smith, Claire E, Thomas, Jack, Vitulli, Giovanni, Macdonald, Simon J. F
Published in Journal of medicinal chemistry (10.10.2019)
Published in Journal of medicinal chemistry (10.10.2019)
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Structure–Activity Relationships of Small Molecule Autotaxin Inhibitors with a Discrete Binding Mode
Miller, Lisa M, Keune, Willem-Jan, Castagna, Diana, Young, Louise C, Duffy, Emma L, Potjewyd, Frances, Salgado-Polo, Fernando, Engel García, Paloma, Semaan, Dima, Pritchard, John M, Perrakis, Anastassis, Macdonald, Simon J. F, Jamieson, Craig, Watson, Allan J. B
Published in Journal of medicinal chemistry (26.01.2017)
Published in Journal of medicinal chemistry (26.01.2017)
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Profile of a Highly Selective Quaternized Pyrrolidine Betaine αvβ6 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 Stereoselective Methylation
Barrett, Tim N, Taylor, Jonathan A, Barker, Daniel, Procopiou, Panayiotis A, Thompson, James D. F, Barrett, John, Le, Joelle, Lynn, Sean M, Pogany, Peter, Pratley, Cassie, Pritchard, John M, Roper, James A, Rowedder, James E, Slack, Robert J, Vitulli, Giovanni, Macdonald, Simon J. F, Kerr, William J
Published in Journal of medicinal chemistry (22.08.2019)
Published in Journal of medicinal chemistry (22.08.2019)
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Design and Elaboration of a Tractable Tricyclic Scaffold To Synthesize Druglike Inhibitors of Dipeptidyl Peptidase‑4 (DPP-4), Antagonists of the C–C Chemokine Receptor Type 5 (CCR5), and Highly Potent and Selective Phosphoinositol‑3 Kinase δ (PI3Kδ) Inhibitors
Schwehm, Carolin, Kellam, Barrie, Garces, Aimie E, Hill, Stephen J, Kindon, Nicholas D, Bradshaw, Tracey D, Li, Jin, Macdonald, Simon J. F, Rowedder, James E, Stoddart, Leigh A, Stocks, Michael J
Published in Journal of medicinal chemistry (23.02.2017)
Published in Journal of medicinal chemistry (23.02.2017)
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A borylative cyclisation towards indole boronic esters
Huang, Jianhui, Macdonald, Simon J. F., Harrity, Joseph P. A.
Published in Chemical communications (Cambridge, England) (14.12.2010)
Published in Chemical communications (Cambridge, England) (14.12.2010)
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