{"id":22,"date":"2019-09-17T13:23:12","date_gmt":"2019-09-17T13:23:12","guid":{"rendered":"http:\/\/rgdscience.com\/?page_id=22"},"modified":"2026-04-10T14:48:36","modified_gmt":"2026-04-10T13:48:36","slug":"publications","status":"publish","type":"page","link":"https:\/\/www.rgdscience.com\/index.php\/publications\/","title":{"rendered":"PUBLICATIONS"},"content":{"rendered":"\n<div style=\"height:42px\" aria-hidden=\"true\" class=\"wp-block-spacer\"><\/div>\n\n\n\n<h3 class=\"wp-block-heading\">Selected publications<\/h3>\n\n\n\n<h4><em>Integrin publications<\/em><\/h4>\n\n\n\n<ul>\n<li><strong>Emerging therapeutic opportunities for integrin inhibitors.<\/strong> Slack, R. J., Macdonald, S., Roper, J. A., Jenkins, R. G., &amp; Hatley, R. <a href=\"https:\/\/www.nature.com\/articles\/s41573-021-00284-4\" target=\"_blank\" rel=\"noopener\"><i>Nat Rev Drug Discov<\/i> . 2022, <b>21, <\/b>60\u201378<\/a> &nbsp;<span style=\"color: #339966;\">\u2022\u2022<em>A comprehensive review of integrin therapeutics and clinical leads<\/em><\/span><span style=\"color: #339966;\">&nbsp;\u2022<em>\u2022<\/em><\/span><\/li>\n<li style=\"text-align: justify;\"><strong>An \u03b1v-\u200bRGD integrin inhibitor toolbox: drug discovery insight, challenges and opportunities. <\/strong>Hatley, Richard; Macdonald, Simon; Le, Joelle; Ludbrook, Steve; Lukey, Pauline; Slack, Robert. <a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/abs\/10.1002\/anie.201707948\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Angew Chem Int Ed Engl<\/em>. <strong>2018<\/strong>, <em>57<\/em>, 3298-3321<\/a> <span style=\"color: #339966;\">\u2022\u2022<em>An important review for the integrin drug discoverer packed with insights in this unusual field<\/em> \u2022<em>\u2022<\/em><\/span><\/li>\n<li style=\"text-align: justify;\"><strong>The Design of Potent, Selective and Drug-Like RGD \u03b1v\u03b21 Small Molecule Inhibitors Derived from non-RGD \u03b14\u03b21 Antagonists. <\/strong>R. J. D. Hatley, T. N. Barrett, R. J. Slack, M. E. Watson, D. J. Baillache, A. Gruszka, Y. Washio, J. E. Rowedder, P. Pog\u00e1ny, S. Pal, S. J. F. Macdonald, <a href=\"https:\/\/onlinelibrary.wiley.com\/doi\/abs\/10.1002\/cmdc.201900359\" target=\"_blank\" rel=\"noreferrer noopener\"><em>ChemMedChem<\/em> <strong>2019<\/strong>, <em>14<\/em>, 1315-1320<\/a> <span style=\"color: #008000;\">\u2022\u2022 <em>Breaking the mould of the standard RGD chemotype &#8211; only the second report of a selective \u03b1v\u03b21 molecule<\/em> \u2022\u2022<\/span><\/li>\n<li style=\"text-align: justify;\"><strong>Profile of a Highly Selective Quaternized Pyrrolidine Betaine \u03b1v\u03b26 Integrin Inhibitor\u2014(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<\/strong>. Tim N. Barrett, Jonathan A. Taylor, Daniel Barker, Panayiotis A. Procopiou, James D. F. Thompson, John Barrett, Joelle Le, Sean M. Lynn, Peter Pogany, Cassie Pratley, John M. Pritchard, James A. Roper, James E. Rowedder, Robert J. Slack, Giovanni Vitulli, Simon J. F. Macdonald, and William J. Kerr. <a href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jmedchem.9b00819\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Journal of Medicinal Chemistry<\/em> <strong>2019<\/strong>, <em>62<\/em>, 7543-7556<\/a> <span style=\"color: #008000;\">\u2022\u2022 <em>Describes the most selective \u03b1v\u03b26 small molecule known <\/em>\u2022\u2022<\/span><\/li>\n<li style=\"text-align: justify;\"><strong>Discovery of (S)-3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)phenyl)-4-((R)-3-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl)pyrrolidin-1-yl)butanoic Acid, a Nonpeptidic \u03b1v\u03b26 Integrin Inhibitor for the Inhaled Treatment of Idiopathic Pulmonary Fibrosis<\/strong>. Panayiotis A. Procopiou, Niall A. Anderson, John Barrett, Tim N. Barrett, Matthew H. J. Crawford, Brendan J. Fallon, Ashley P. Hancock, Joelle Le, Seble Lemma, Richard P. Marshall, Josie Morrell, John M. Pritchard, James E. Rowedder, Paula Saklatvala, Robert J. Slack, Steven L. Sollis, Colin J. Suckling, Lee R. Thorp, Giovanni Vitulli, and Simon J. F. Macdonald. <a href=\"https:\/\/pubs.acs.org\/doi\/full\/10.1021\/acs.jmedchem.8b00959\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Journal of Medicinal Chemistry<\/em> <strong>2018<\/strong>, <em>61<\/em>, 8417-8443<\/a> <span style=\"color: #008000;\">\u2022\u2022 <em>Describes the discovery and profile of the first in class selective and exceptionally potent \u03b1v\u03b26 inhaled clinical candidate<\/em> \u2022\u2022<\/span><\/li>\n<li style=\"text-align: justify;\"><strong>Emergence of Small-Molecule Non-RGD-Mimetic Inhibitors for RGD Integrins <\/strong>Lisa M. Miller, John M. Pritchard, Simon J. F. Macdonald, Craig Jamieson, and Allan J. B. Watson. <a href=\"https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/acs.jmedchem.6b01711\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Journal of Medicinal Chemistry<\/em> <strong>2017,<\/strong> <em>60<\/em>, 3241-3251<\/a> <span style=\"color: #008000;\">\u2022\u2022 <em>A summary of non-RGD mimetic inhibitors &#8211; rare chemotypes for integrin inhibition<\/em> \u2022\u2022<\/span><\/li>\n<\/ul>\n\n\n\n<h4><em>Bibliometric publications<\/em><\/h4>\n<ul>\n<li>How Diverse Is Medicinal Chemistry? Insights into Race, Ethnicity, Origin, Gender, and Geography. Hatley RJD, McLachlan SP, Baster K, Gelder LC, Macdonald SJF. <a href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jmedchem.1c01632\" target=\"_blank\" rel=\"noopener\">[published online ahead of print, 2021 Dec 21]. <i>J Med Chem<\/i>. 2021;10.1021\/acs.jmedchem.1c01632<\/a> <span style=\"color: #339966;\">\u2022\u2022<\/span><em><span style=\"color: #339966;\">Insightful trends show differences in medicinal chemists compared to the general population <\/span><\/em><span style=\"color: #339966;\">\u2022\u2022<\/span><\/li>\n<li>Writing Your Next Medicinal Chemistry Article: Journal Bibliometrics and Guiding Principles for Industrial Authors. Hatley RJD, Procopiou PA, McLachlan SP, Westendorf LE, Meanwell NA, Ewing WR, Macdonald SJF. <a href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jmedchem.0c01159\" target=\"_blank\" rel=\"noopener\"><i>J Med Chem<\/i>. 2020;63(23):14336-14356<\/a> <span style=\"color: #339966;\">\u2022\u2022 A review of best practice in writing medicinal chemistry papers and trends from pharma companies \u2022\u2022<\/span><\/li>\n<\/ul>\n\n\n\n<h4><i>Fibrosis<\/i><em> publication<\/em>s<\/h4>\n\n\n\n<ul>\n<li style=\"text-align: justify;\"><strong>Dissecting fibrosis: therapeutic insights from the small-\u200bmolecule toolbox. <\/strong>Nanthakumar, Carmel B.; Hatley, Richard J. D.; Lemma, Seble; Gauldie, Jack; Marshall, Richard P.; MacDonald, Simon J. F. <a href=\"https:\/\/www.nature.com\/articles\/nrd4592\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Nature Reviews Drug Discovery<\/em> <strong>2015<\/strong>, 14, 693-720<\/a><span style=\"color: #008000;\"> \u2022\u2022 <em>Understanding fibrosis pathways with a curated set of small molecules<\/em> \u2022\u2022<\/span><\/li>\n<li style=\"text-align: justify;\"><strong>Structure Activity Relationships of \u03b1v Integrin Antagonists for Pulmonary Fibrosis by Variation in Aryl Substituents. <\/strong>James Adams, Edward C. Anderson, Emma E. Blackham, Yin Wa Ryan Chiu, Thomas Clarke, Natasha Eccles, Luke A. Gill, Joshua J. Haye, Harvey T. Haywood, Christian R. Hoenig, Marius Kausas, Joelle Le, Hannah L. Russell, Christopher Smedley, William J. Tipping, Tom Tongue, Charlotte C. Wood, Jason Yeung, James E. Rowedder, M. Jonathan Fray, Thomas McInally, and Simon J. F. Macdonald. <a href=\"https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/ml5002079\" target=\"_blank\" rel=\"noreferrer noopener\" aria-label=\"ACS Medicinal Chemistry Letters 2014, 5, 1207-1212 (opens in a new tab)\"><em>ACS Medicinal Chemistry Letters<\/em><strong> 2014<\/strong>,<em> 5<\/em>, 1207-1212<\/a> <span style=\"color: #008000;\">\u2022\u2022 <em>Obtaining selectivity for \u03b1v-integrins through subtle structural changes &#8211; achieved by undergraduates<\/em> \u2022\u2022<\/span><\/li>\n<\/ul>\n\n\n\n<h4><em>Undergraduate teaching<\/em><\/h4>\n\n\n\n<ul>\n<li style=\"text-align: justify;\"><strong>Practical drug discovery project at the undergraduate level.<\/strong>&nbsp;Fray MJ, Macdonald SJF, Baldwin IR, Barton N, Brown J, Campbell IB, Churcher I, Coe DM, Cooper AW, Craven AP, Fisher G, Inglis GG, Kelly HA, Liddle J, Maxwell AC, Patel VK, Swanson S, Wellaway N.&nbsp;<a href=\"https:\/\/www.sciencedirect.com\/science\/article\/pii\/S1359644613002924\" target=\"_blank\" rel=\"noreferrer noopener\" aria-label=\"Drug Discovery Today 2013, 18, 1158-72 (opens in a new tab)\"><em>Drug Discovery Today<\/em><strong> 2013<\/strong>, <em>18<\/em>, 1158-72<\/a> <span style=\"color: #008000;\">\u2022\u2022 <em>A practical and innovative module which takes undergraduates through several lead optimisation cycles<\/em> \u2022\u2022<\/span><\/li>\n<li style=\"text-align: justify;\"><strong>Passing on the medicinal chemistry baton: training undergraduates to be industry-ready through research projects between the University of Nottingham and GlaxoSmithKline<\/strong> Simon J.F. Macdonald, M. Jonathan Fray, Thomas McInally. <a href=\"https:\/\/www.sciencedirect.com\/science\/article\/pii\/S1359644616300125?via%3Dihub\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Drug Discovery Today<\/em> <strong>2016,<\/strong> <em>21<\/em>, 880<\/a> <span style=\"color: #008000;\">\u2022\u2022 <em>How to run fourth year MSci live drug discovery projects for education and commercialisation<\/em> \u2022\u2022<\/span><\/li>\n<li style=\"text-align: justify;\"><strong>Unusual Undergraduate Training in Medicinal Chemistry in Collaboration between Academia and Industry. <\/strong>McInally, Thomas; Macdonald, Simon J. F. <a href=\"https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/acs.jmedchem.7b00198\" target=\"_blank\" rel=\"noreferrer noopener\" aria-label=\"Journal of Medicinal Chemistry 2017, 60, 7958-7964 (opens in a new tab)\"><em>Journal of Medicinal Chemistry<\/em><strong> 2017<\/strong>, <em>60<\/em>, 7958-7964<\/a> <span style=\"color: #008000;\">\u2022\u2022 <em>A perspective describing the training of the next generation medicinal chemists<\/em> \u2022\u2022<\/span><\/li>\n<\/ul>\n\n\n\n<h4><em>Attrition publications<\/em><\/h4>\n\n\n\n<ul>\n<li style=\"text-align: justify;\"><strong>The impact of aromatic ring count on compound developability \u2013 are too many aromatic rings a liability in drug design?<\/strong> Timothy J. Ritchie, Simon J.F. Macdonald. <a href=\"https:\/\/www.sciencedirect.com\/science\/article\/pii\/S1359644609002785?via%3Dihub\" target=\"_blank\" rel=\"noreferrer noopener\"><em>Drug Discovery Today<\/em> <strong>2009<\/strong>, <em>14<\/em>, 1011-1020<\/a> <span style=\"color: #008000;\">\u2022\u2022 <em>An important publication on aromatic rings in drug discovery and heavily cited <\/em>\u2022\u2022<\/span><\/li>\n<li style=\"text-align: justify;\"><strong>The developability of heteroaromatic and heteroaliphatic rings &#8211; do some have a better pedigree as potential drug molecules than others?<\/strong> Ritchie, Timothy J.; Macdonald, Simon J. F.; Peace, Simon; Pickett, Stephen D.; Luscombe, Christopher N. <a href=\"https:\/\/pubs.rsc.org\/en\/content\/articlelanding\/2012\/md\/c2md20111a#!divAbstract\" target=\"_blank\" rel=\"noreferrer noopener\"><em>MedChemComm<\/em> <strong>2012<\/strong>, <em>3<\/em>, 1062-1069<\/a> <span style=\"color: #008000;\">\u2022\u2022<em>It turns out that some do!<\/em> \u2022\u2022<\/span><\/li>\n<li style=\"text-align: justify;\"><strong>The impact of aromatic ring count on compound developability: further insights by examining carbo- and hetero-aromatic and -aliphatic ring types.<\/strong> Ritchie, Timothy J.; Macdonald, Simon J. F.; Young, Robert J.; Pickett, Stephen D. <a href=\"https:\/\/www.sciencedirect.com\/science\/article\/pii\/S1359644610008366?via%3Dihub\" target=\"_blank\" rel=\"noreferrer noopener\" aria-label=\"Drug Discovery Today 2011, 16, 164-171 (opens in a new tab)\"><em>Drug Discovery Today<\/em> <strong>2011<\/strong>, <em>16<\/em>, 164-171<\/a> <span style=\"color: #008000;\">\u2022\u2022 <em>Helpful guide to selecting preferred rings for the medicinal chemist to use<\/em> \u2022\u2022<\/span><\/li>\n<\/ul>\n\n\n\n<h4><em>Papers in collaboration with academics<\/em><\/h4>\n\n\n\n<ul>\n<li style=\"text-align: justify;\"><strong>Mild Aerobic Oxidative Palladium(II) Catalyzed C-H Bond Functionalization: Regioselective and Switchable C-H Alkenylation and Annulation of Pyrroles.<\/strong>&nbsp; Beck, Elizabeth M.; Grimster, Neil P.; Hatley, Richard; Gaunt, Matthew J. <em>JACS <\/em><strong>2006<\/strong>, <em>128<\/em>, 2528-2529.<\/li>\n<li style=\"text-align: justify;\"><strong>Synthesis of rhazinicine by a metal-catalyzed C-H bond functionalization strategy<\/strong> Beck, Elizabeth M.; Hatley, Richard; Gaunt, Matthew J. <em>Angewandte Chemie, International Edition<\/em> <strong>2008<\/strong>, <em>47<\/em>, 3004-3007.<\/li>\n<li style=\"text-align: justify;\"><strong>Latonduine analogs restore F508del-\u200bcystic fibrosis transmembrane conductance regulator trafficking through the modulation of poly-\u200bADP ribose polymerase 3 and poly-\u200bADP ribose polymerase 16 activity. <\/strong>Carlile, Graeme W.; Robert, Renaud; Matthes, Elizabeth; Yang, Qi; Solari, Roberto; Hatley, Richard; Edge, Colin M.; Hanrahan, John W.; Andersen, Raymond; Thomas, David Y.; et al. <em>Molecular Pharmacology<\/em> <strong>2016<\/strong>,&nbsp;<em>90<\/em>,&nbsp;65-79.<\/li>\n<\/ul>\n\n\n\n<h4><em>General medchem papers<\/em><\/h4>\n\n\n\n<ul>\n<li style=\"text-align: justify;\"><strong>2,5-Diketopiperazines as potent and selective oxytocin antagonists 1: identification, stereochemistry and initial SAR. <\/strong>Wyatt, Paul G.; Allen, Michael J.; Borthwick, Alan D.; Davies, Dave E.; Exall, Anne M.; Hatley, Richard J. D.; Irving, Wendy R.; Livermore, David G.; Miller, Neil D.; Nerozzi, Fabrizio; Sollis, Steve L.; Szardenings, Anna Katrin. <em>Bioorganic &amp; Medicinal Chemistry Letters<\/em> <strong>2005<\/strong>, <em>15<\/em>, 2579-2582.&nbsp;<\/li>\n<li style=\"text-align: justify;\"><strong>2,5-Diketopiperazines as Potent, Selective, and Orally Bioavailable Oxytocin Antagonists. 3. Synthesis, Pharmacokinetics, and in Vivo Potency.<\/strong> Borthwick, Alan D.; Davies, Dave E.; Exall, Anne M.; Hatley, Richard J. D.; Hughes, Jennifer A.; Irving, Wendy R.; Livermore, David G.; Sollis, Steve L.; Nerozzi, Fabrizio; Valko, Klara L.; Allen, Michael J.; Perren, Marion; Shabbir, Shalia S.; Woollard, Patrick M.; Price, Mark A. <em>Journal of Medicinal Chemistry <\/em><strong>2006<\/strong>, <em>49<\/em>, 4159-4170.&nbsp;<\/li>\n<\/ul>\n\n\n\n<h4><em>Opinion article<\/em>s<\/h4>\n\n\n\n<ul>\n<li style=\"text-align: justify;\"><strong>Medicinal chemistry in drug discovery in big pharma: past, present and future.<\/strong> Ian B. Campbell, Simon J.F. Macdonald, Panayiotis A. Procopiou. <a href=\"https:\/\/www.sciencedirect.com\/science\/article\/pii\/S1359644617301708\" target=\"_blank\" rel=\"noreferrer noopener\" aria-label=\"Drug Discovery Today, 2018, 23, 219-234. (opens in a new tab)\"><em>Drug Discovery Today<\/em>, <strong>2018<\/strong>, <em>23<\/em>, 219-234.<\/a><\/li>\n<li style=\"text-align: justify;\"><strong>Sprinkling the pixie dust: reflections on innovation and innovators in medicinal chemistry and drug discovery<\/strong>. SJF Macdonald, RJD Hatley. <a href=\"https:\/\/www.sciencedirect.com\/science\/article\/pii\/S1359644620300325?via%3Dihub\" target=\"_blank\" rel=\"noreferrer noopener\" aria-label=\"Drug Discovery Today, 2020, 25, 599-609. (opens in a new tab)\"><em>Drug Discovery Today<\/em>, <strong>2020<\/strong>, <em>25<\/em>, 599-609.<\/a><\/li>\n<\/ul>\n\n\n\n<h4><em>Conferences<\/em><\/h4>\n\n\n\n<ul>\n<li style=\"text-align: justify;\"><strong>Fibrosis toolbox: Small molecules to investigate fibrosis pathways and mechanisms. <\/strong>Hatley, Richard. <em>Abstracts of Papers<\/em>, 249th ACS National Meeting &amp; Exposition, Denver, CO, United States, March 22-26, <strong>2015<\/strong>, MEDI-96<\/li>\n<\/ul>\n\n\n\n<p class=\"wp-block-paragraph\"><\/p>\n","protected":false},"excerpt":{"rendered":"<p>Selected publications Integrin publications Emerging therapeutic opportunities for integrin inhibitors. Slack, R. J., Macdonald, S., Roper, J. A., Jenkins, R. G., &amp; Hatley, R. Nat Rev Drug Discov . 2022, 21, 60\u201378 &nbsp;\u2022\u2022A comprehensive review of integrin therapeutics and clinical leads&nbsp;\u2022\u2022 An \u03b1v-\u200bRGD integrin inhibitor toolbox: drug discovery insight, challenges and opportunities. Hatley, Richard; Macdonald, [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"site-sidebar-layout":"no-sidebar","site-content-layout":"","ast-site-content-layout":"default","site-content-style":"default","site-sidebar-style":"default","ast-global-header-display":"","ast-banner-title-visibility":"","ast-main-header-display":"","ast-hfb-above-header-display":"","ast-hfb-below-header-display":"","ast-hfb-mobile-header-display":"","site-post-title":"disabled","ast-breadcrumbs-content":"","ast-featured-img":"","footer-sml-layout":"","ast-disable-related-posts":"","theme-transparent-header-meta":"default","adv-header-id-meta":"","stick-header-meta":"","header-above-stick-meta":"","header-main-stick-meta":"","header-below-stick-meta":"","astra-migrate-meta-layouts":"set","ast-page-background-enabled":"default","ast-page-background-meta":{"desktop":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"tablet":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"mobile":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""}},"ast-content-background-meta":{"desktop":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"tablet":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"mobile":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""}},"footnotes":""},"class_list":["post-22","page","type-page","status-publish","hentry"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v28.3 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>Publications archive &#8211; 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