Publications and Further Research Outputs
Peer-Reviewed Publications
Wang S., Malebari A.M., Greene T.F., Kandwal S., Fayne D., Nathwani S.M., Zisterer D.M., Twamley B., O'Boyle N.M., Meegan M.J., Antiproliferative and Tubulin-Destabilising Effects of 3-(Prop-1-en-2-yl)azetidin-2-Ones and Related Compounds in MCF-7 and MDA-MB-231 Breast Cancer Cells, Pharmaceuticals, 16, (7), 2023, p1000-
Gloria Ana, Patrick M. Kelly, Azizah M. Malebari, Sara Noorani, Seema M. Nathwani, Brendan Twamley, Darren Fayne, Niamh M. O'Boyle, Daniela M. Zisterer, Elisangela Flavia Pimentel, Denise Coutinho Endringer and Mary J. Meegan, Synthesis and Biological Evaluation of 1-(Diarylmethyl)-1H-1,2,4-Triazoles and 1-(Diarylmethyl)-1H-Imidazoles as a Novel Class of Anti-Mitotic Agent for Activity in Breast Cancer, Pharmaceuticals, 14, (2), 2021, p169-
Malebari A.M., Wang S., Greene T.F., O'Boyle N.M., Fayne D., Khan M.F., Nathwani S.M., Twamley B., McCabe T., Zisterer D.M., Meegan M.J., Synthesis and antiproliferative evaluation of 3-chloroazetidin-2-ones with antimitotic activity: Heterocyclic bridged analogues of combretastatin A-4, Pharmaceuticals, 14, (11), 2021, part. 1119-
Shubhangi Kandwal, Darren Fayne, Repurposing drugs for treatment of SARS-CoV-2 infection: Computational design insights into mechanisms of action, 2020
Byrne AJ, Bright SA, McKeown JP, O'Brien JE, Twamley B, Fayne D, Williams DC, Meegan MJ, Design, Synthesis and Biochemical Evaluation of Novel Ethanoanthracenes and Related Compounds to Target Burkitt's Lymphoma., Pharmaceuticals (Basel, Switzerland), 2020
Malebari AM, Fayne D, Nathwani SM, O'Connell F, Noorani S, Twamley B, O'Boyle NM, O'Sullivan J, Zisterer DM, Meegan MJ, ß-Lactams with antiproliferative and antiapoptotic activity in breast and chemoresistant colon cancer cells., European journal of medicinal chemistry, 2020
Azizah M. Malebari, Darren Fayne, Seema M. Nathwani, Fiona O'Connell, Sara Noorani, Brendan Twamley, Niamh M. O'Boyle, Jacintha O'Sullivan, Daniela M. Zisterer, Mary J. Meegan, Beta-lactams with antiproliferative and antiapoptotic activity in breast and chemoresistant colon cancer cells, European Journal of Medicinal Chemistry, 189, 2020, p112050-
Wang, S., Malebari, A.M., Greene, T.F., O'Boyle, N.M., Fayne, D., Nathwani, S.M., Twamley, B., McCabe, T., Keely, N.O., Zisterer, D.M. and Meegan, M.J., 3-Vinylazetidin-2-Ones: Synthesis, antiproliferative and tubulin destabilizing activity in MCF-7 and MDA-MB-231 Breast Cancer Cells, Pharmaceuticals, 12, (2), 2019
Andrew J. Byrne, Sandra A. Bright, Darren Fayne, James P. McKeown, Thomas McCabe, Brendan Twamley, Clive Williams and Mary J. Meegan, Synthesis, Antiproliferative and Pro-Apoptotic Effects of Nitrostyrenes and Related Compounds in Burkitt's Lymphoma, Medicinal Chemistry, 14 , (1), 2018, p181 - 199
Almahboub, S.A., Narancic, T., Fayne, D., O"Connor, K.E., Single point mutations reveal amino acid residues important for Chromobacterium violaceum transaminase activity in the production of unnatural amino acids, Scientific Reports, 8, (1), 2018
O'Boyle, NM, Barrett, I, Greene, LM, Carr, M, Fayne, D, Twamley, B, Knox, AJS, Keely, NO, Zisterer, DM, Meegan, MJ, Lead Optimization of Benzoxepin-Type Selective Estrogen Receptor (ER) Modulators and Downregulators with Subtype-Specific ER-alpha and ER-beta Activity, Journal of Medicinal Chemistry, 61, (2), 2018, p514 - 534
Malebari, A.M., Greene, L.M., Nathwani, S.M., Fayne, D., O'Boyle, N.M., Wang, S., Twamley, B., Zisterer, D.M., Meegan, M.J., ß-Lactam analogues of combretastatin A-4 prevent metabolic inactivation by glucuronidation in chemoresistant HT-29 colon cancer cells, European Journal of Medicinal Chemistry, 130, 2017, p261-285
Malebari, AM, Greene, LM, Nathwani, SM, Fayne, D, O'Boyle, NM, Wang, S, Twamley, B, Zisterer, DM, Meegan, MJ, Beta-lactam analogues of combretastatin A-4 prevent metabolic inactivation by glucuronidation in chemoresistant HT-29 colon cancer cells, European Journal of Medicinal Chemistry, 130, 2017, p261-285
Kelly PM, Keely NO, Bright SA, Yassin B, Ana G, Fayne D, Zisterer DM, Meegan MJ., Novel Selective Estrogen Receptor Ligand Conjugates Incorporating Endoxifen-Combretastatin and Cyclofenil-Combretastatin Hybrid Scaffolds: Synthesis and Biochemical Evaluation., Molecules (Basel, Switzerland), 22, (9), 2017, p1440-
Lecca, D., Nevin, D.K., Mulas, G., Casu, M.A., Diana, A., Rossi, D., Sacchetti, G., Fayne, D., Carta, A.R., Erratum: Corrigendum to "Neuroprotective and anti-inflammatory properties of a novel non-thiazolidinedione PPAR" agonist in vitro and in MPTP-treated mice" (Neuroscience (2015) 302 (23"35)(S030645221500367X)(10.1016/j.neuroscience.2015.04.026)), Neuroscience, 339, 2016
Kelly PM, Bright SA, Fayne D, Pollock JK, Zisterer DM, Williams DC, Meegan MJ, Synthesis, antiproliferative and pro-apoptotic activity of 2-phenylindoles., Bioorganic & medicinal chemistry, 24, (18), 2016, p4075-99
Lecca D, Nevin DK, Mulas G, Casu MA, Diana A, Rossi D, Sacchetti G, Fayne, Carta AR, Neuroprotective and anti-inflammatory properties of a novel non-thiazolidinedione PPAR" agonist in vitro and in MPTP-treated mice., Neuroscience, 2015
Caboni, L., Gálvez-Llompart, M., Gálvez, J., Blanco, F., Rubio-Martinez, J., Fayne, D., Lloyd, D.G., Molecular topology applied to the discovery of 1-benzyl-2-(3-fluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2 h -pyrrole-5-one as a non-ligand-binding-pocket antiandrogen, Journal of Chemical Information and Modeling, 54, (10), 2014, p2953-2966
Kesel, A.J., Huang, Z., Murray, M.G., Prichard, M.N., Caboni, L., Nevin, D.K., Fayne, D., Lloyd, D.G., Detorio, M.A., Schinazi, R.F., Retinazone inhibits certain blood-borne human viruses including Ebola virus Zaire, Antiviral Chemistry and Chemotherapy, 23, (5), 2014, p197-215
Mawhinney L, Armstrong ME, O' Reilly C, Bucala R, Leng L, Fingerle-Rowson G, Fayne D, Keane MP, Tynan A, Maher L, Cooke G, Lloyd D, Conroy H, Donnelly SC, Macrophage migration inhibitory factor (MIF) enzymatic activity and lung cancer., Molecular medicine, 20, (1), 2014, p729 - 735
Svärd J, Blanco F, Nevin D, Fayne D, Mulcahy F, Hennessy M, Spiers JP, Differential interactions of antiretroviral agents with LXR, ER and GR nuclear receptors: potential contributing factors to adverse events., British journal of pharmacology, 171, (2), 2014, p480-97
Caboni, L. Egan, B., Kelly, B.,Blanco, F., Fayne, D., Meegan, M. J., Lloyd, D. G, Structure-Activity Relationships in Non-Ligand Binding Pocket (Non-LBP) Diarylhydrazide Antiandrogens,, J Chem Inf Model, 53, (8), 2013, p2116 - 2130
Ligand-Based Molecular Design Using Pseudoreceptors in, editor(s)Gisbert Schneider , De novo Molecular Design, Weinheim, Wiley-VCH Verlag GmbH & Co., 2013, [Darren Fayne]
Fayne, D., De-peptidising protein-protein interactions - Big jobs for small molecules, Drug Discovery Today: Technologies, 10, (4), 2013
Nevin DK, Peters MB, Carta G, Fayne D, Lloyd DG, Integrated virtual screening for the identification of novel and selective peroxisome proliferator-activated receptor (PPAR) scaffolds., Journal of medicinal chemistry, 55, (11), 2012, p4978-89
Caboni, L., Kinsella, G. K., Blanco, F., Fayne, D., Jagoe, W. N., Carr, M., Williams, D. C., Meegan, M. J., Lloyd, D. G., "True" Antiandrogens-Selective Non-Ligand-Binding Pocket Disruptors of Androgen Receptor-Coactivator Interactions: Novel Tools for Prostate Cancer, , J Med Chem,, 55, (4 ), 2012, p1635 - 1644
Caboni L, Kinsella GK, Blanco F, Fayne D, Jagoe WN, Carr M, Williams DC, Meegan MJ, Lloyd DG, 'True' antiandrogens - selective non ligand-binding pocket disruptors of androgen receptor-coactivator interactions: Novel Tools for Prostate Cancer., Journal of Medicinal Chemistry, 55, (4), 2012, p1635 - 1644
Blanco F, Egan B, Caboni L, Elguero J, O'Brien J, McCabe T, Fayne D, Meegan MJ, Lloyd DG, Study of E/Z isomerization in a series of novel non-ligand binding pocket androgen receptor antagonists., Journal of chemical information and modeling, 52, (9), 2012, p2387-97
McKay, P.B., Fayne, D., Horn, H.W., James, T., Peters, M.B., Carta, G., Caboni, L., Nevin, D.K., Price, T., Bradley, G., Williams, D.C., Rice, J.E., Lloyd, D.G., Consensus computational ligand-based design for the identification of novel modulators of human estrogen receptor alpha, Molecular Informatics, 31, (3-4), 2012, p246-258
Paul B. McKay, Martin B. Peters, Giorgio Carta, Christopher T. Flood, Enda Dempsey, Angus Bell, Colin Berry, David G. Lloyd, Darren Fayne, Identification of Plasmepsin Inhibitors as Selective Antimalarial Agents using Ligand Based Drug Design, Bioorganic & Medicinal Chemistry Letters, 21, (11), 2011, p3335-3341
Nevin DK, Lloyd DG, Fayne D, Rational targeting of peroxisome proliferating activated receptor subtypes., Current medicinal chemistry, 18, (36), 2011, p5598-623
Onnis, Valeria; Kinsella, Gemma; Carta, Giorgio; Jagoe, William; Price, Trevor; Williams, Clive; Fayne, Darren; Lloyd, David, Virtual Screening for the identification of novel non-steroidal Glucocorticoid Modulators, Journal of Medicinal Chemistry, 53, 2010, p3065 - 3074
Yang Y, Carta G, Peters MB, Price T, O'Boyle N, Knox AJ, Fayne D, Williams DC, Meegan MJ, Lloyd DG , 'tieredScreen' - Layered Virtual Screening Tool for the Identification of Novel Estrogen Receptor Alpha, Molecular Informatics, 29, 2010, p421 - 430
Greene,. L.M., Nathwani, S.M., Bright, S.A., Fayne, D., Croke, A., Gagliardi,M., McElligott, A.M., O'Connor, L.M., Carr, M.G., Keely, N.O., O'Boyle, N.M., Carroll, P.V., Sarkadi, B., Conneally, E.C., Lloyd,D.G., Lawler, M.P., Meegan, M.J., Zisterer, D.M., The vascular targeting agent combretastatin-A4 and a novel cis-restricted beta-lactam analogue, CA-432, induce apoptosis in human chronic myeloid leukemia cells and ex vivo patient samples including those displaying multidrug resistance, Journal of Pharmacology and Experimental Therapeutics, 335, (2), 2010, p302-313
Nathwani,SM, Butler, S, Fayne,D, McGovern,NN, Sarkardi,B, Meegan,MJ, Lloyd,DG, Campiani,G, Lawler,M, Williams,DC, and Zisterer, DM, Novel Microtubule targetting agents, pyrrolo-1,5,benzoxazepines induce apoptosis in multi-drug-resistant cancer cells, CANCER CHEMOTHERAPY AND PHARMACOLOGY, 66, (3), 2010, p585 - 596
Cloonan SM, Drozgowska A, Fayne D, Williams DC, The antidepressants maprotiline and fluoxetine have potent selective antiproliferative effects against Burkitt lymphoma independently of the norepinephrine and serotonin transporters., Leukemia & lymphoma, 51, (3), 2010, p523-39
Yang,Y., Carta,G., Peters, M.B., Price, T.T., O'Boyle, N.M., Knox, A.J.S., Fayne, D., Williams, D.C., Meegan, M.J., Lloyd, D.G., 'TieredScreen' - Layered virtual screening tool for the identification of novel estrogen receptor alpha modulators, Molecular Informatics, 29, (5), 2010, p421-430
Greene LM, Nathwani SM, Bright SA, Fayne D, Croke A, Gargliardi M, Mc Elligott AM, O'Connor L, Carr M, Keely NO, O'Boyle NM, Carroll P, Sarkadi B, Conneally E, Lloyd DG, Lawler M, Meegan MJ, Zisterer DM, The vascular targeting agent Combretastatin-A4 and a novel cis-restricted {beta}-lactam analogue CA-432 induce apoptosis in human chronic myeloid leukemia cells and in ex vivo patient samples including those displaying multidrug resistance., The Journal of Pharmacology and Experimental Therapeutics, 335, (2), 2010, p302 - 313
Onnis V, Kinsella GK, Carta G, Fayne D, Lloyd DG, Rational structure-based drug design and optimization in the ligand-binding domain of the glucocorticoid receptor-"., Future medicinal chemistry, 1, (2), 2009, p345-59
Veith H, Southall N, Huang R, James T, Fayne D, Artemenko N, Shen M, Inglese J, Austin CP, Lloyd DG, Auld DS, Comprehensive characterization of cytochrome P450 isozyme selectivity across chemical libraries., Nature Biotechnology, 27, (11), 2009, p1050-5
Onnis V, Kinsella GK, Carta G, Fayne D, Lloyd DG., Rational ligand based drug design and structure-activity relationship studies in the ligand-binding domain of the glucocorticoid receptor á, Future Medicinal Chemistry, 1, (2), 2009, p345 - 359
Knox AJ, Price T, Pawlak M, Golfis G, Flood CT, Fayne D, Williams DC, Meegan MJ, Lloyd DG, Integration of ligand and structure-based virtual screening for the identification of the first dual targeting agent for heat shock protein 90 (Hsp90) and tubulin., Journal of medicinal chemistry, 52, (8), 2009, p2177-80
Onnis, V., Kinsella, G.K., Carta, G., Fayne, D., Lloyd, D.G., Rational ligand-based virtual screening and structure-activity relationship studies in the ligand-binding domain of the glucocorticoid receptor-", Future Medicinal Chemistry, 1, (3), 2009, p483-499
Carta G, Onnis V, Knox AJS, Fayne D, Lloyd DG, Permuting input for more effective sampling of 3D conformer space, Journal of Computer-Aided Molecular Design , 20, (6), 2006, p179 - 190
Lloyd DG, Golfis G, Knox AJ, Fayne D, Meegan MJ, Oprea TI, Oncology exploration: charting cancer medicinal chemistry space., Drug discovery today, 11, (3-4), 2006, p149-59
Kane, P., Kincaid, K., Fayne, D., Diamond, D., McKervey, M.A., Modelling metal complexes of calixarene esters and phosphine oxides using molecular mechanics, Journal of Molecular Modeling, 6, (2), 2000, p272-281
Bell, S.E.J., McKervey, M.A., Fayne, D., Kane, P., Diamond, D., Molecular modeling of calixarenes with group i metal ions, Journal of Molecular Modeling, 4, (1), 1998, p44-52
Kane, P., Fayne, D., Diamond, D., Bell, S.E.J., McKervey, M.A., Modelling of the sodium complex of a calixarene tetraester in the 1,3-alternate conformation, Journal of Molecular Modeling, 4, (8), 1998, p259-267
Howarth, J., Hanlon, K., Fayne, D., McCormac, P., Moisture stable dialkylimidazolium salts as heterogeneous and homogeneous Lewis acids in the Diels-Alder reaction, Tetrahedron Letters, 38, (17), 1997, p3097-3100