Darren Fayne
Senior Research Fellow, Biochemistry

Publications and Further Research Outputs

Peer-Reviewed Publications

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 ERα and ERβ Activity, Journal of Medicinal Chemistry, 61, (2), 2018, p514 - 534 Journal Article, 2018 TARA - Full Text URL DOI

Malebari, AM, Greene, LM, Nathwani, SM, Fayne, D, O'Boyle, NM, Wang, S, Twamley, B, Zisterer, DM, Meegan, MJ, β-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 Journal Article, 2017 URL DOI

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 Journal Article, 2014

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 Journal Article, 2014

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 Journal Article, 2014

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., 2014 Journal Article, 2014

Ligand-Based Molecular Design Using Pseudoreceptors in, editor(s)Gisbert Schneider , De novo Molecular Design, Weinheim, Wiley-VCH Verlag GmbH & Co., 2013, [Darren Fayne] Book Chapter, 2013

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 Journal Article, 2013

Fayne, D., De-peptidising protein-protein interactions - Big jobs for small molecules, Drug Discovery Today: Technologies, 10, (4), 2013 Journal Article, 2013

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 Journal Article, 2012

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 Journal Article, 2012

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 Journal Article, 2012

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 Journal Article, 2012 DOI

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 Journal Article, 2012

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 Journal Article, 2011 TARA - Full Text

Nevin DK, Lloyd DG, Fayne D, Rational targeting of peroxisome proliferating activated receptor subtypes., Current medicinal chemistry, 18, (36), 2011, p5598-623 Journal Article, 2011

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 Journal Article, 2010 DOI

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 Journal Article, 2010 DOI

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 Journal Article, 2010 DOI

Yang,Yidong Y., Carta,Giorgio G., Peters,Martin B. M.B., Price,Trevor T. T.T., O'Boyle,Niamh M. N.M., Knox,Andrew J S A.J.S., Fayne,Darren D., Williams,D. C. D.C., Meegan,Mary Jane M.J., Lloyd,David G. D.G., 'TieredScreen' - Layered virtual screening tool for the identification of novel estrogen receptor alpha modulators, Molecular Informatics, 29, (5), 2010, p421-430 Journal Article, 2010 DOI

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 Journal Article, 2010 TARA - Full Text

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 Journal Article, 2010

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 Journal Article, 2009

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 Journal Article, 2009 TARA - Full Text DOI

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 Journal Article, 2009

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 Journal Article, 2009

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 Journal Article, 2009 DOI

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 Journal Article, 2006 DOI URL

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 Journal Article, 2006

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 Journal Article, 2000

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 Journal Article, 1998

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 Journal Article, 1998

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 Journal Article, 1997