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1

Rational ligand-based virtual screening and structure–activity relationship studies in the ligand-binding domain of the glucocorticoid receptor-α

Onnis, Valeria, Kinsella, Gemma K, Carta, Giorgio, Fayne, Darren, Lloyd, David G

Journal:

Future Medicinal Chemistry

Year:

2009

Language:

english

File:

PDF, 2.98 MB

english, 2009

2

Lead Optimization of Benzoxepin-Type Selective Estrogen Receptor (ER) Modulators and Downregulators with Subtype-Specific ERα and ERβ Activity

O’Boyle, Niamh M., Barrett, Irene, Greene, Lisa M., Carr, Miriam, Fayne, Darren, Twamley, Brendan, Knox, Andrew J. S., Keely, Niall O., Zisterer, Daniela M., Meegan, Mary J.

Journal:

Journal of Medicinal Chemistry

Year:

2017

Language:

english

File:

PDF, 1.56 MB

english, 2017

3

‘tieredScreen’ – Layered Virtual Screening Tool for the Identification of Novel Estrogen Receptor Alpha Modulators

Yidong Yang, Giorgio Carta, Martin B. Peters, Trevor Price, Niamh O'Boyle, Andrew J. S. Knox, Darren Fayne, D. Clive Williams, Mary J. Meegan, David G. Lloyd

Journal:

Molecular Informatics

Year:

2010

Language:

english

File:

PDF, 603 KB

english, 2010

4

Identification of plasmepsin inhibitors as selective anti-malarial agents using ligand based drug design

Paul B McKay, Martin B. Peters, Giorgio Carta, Christopher T. Flood, Enda Dempsey, Angus Bell, Colin Berry, David G. Lloyd, Darren Fayne

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2011

Language:

english

File:

PDF, 648 KB

english, 2011

5

Moisture Stable Dialkylimidazolium Salts as Heterogeneous and Homogeneous Lewis Acids in the Diels-Alder Reaction

Joshua Howarth, Keith Hanlon, Darren Fayne, Paul McCormac

Journal:

Tetrahedron Letters

Year:

1997

Language:

english

File:

PDF, 473 KB

english, 1997

6

Novel microtubule-targeting agents, pyrrolo-1,5-benzoxazepines, induce apoptosis in multi-drug-resistant cancer cells

Seema-Maria Nathwani, Stephen Butler, Darren Fayne, Naomi N. McGovern, Balazs Sarkadi, Mary J. Meegan, David G. Lloyd, Giuseppe Campiani, Mark Lawler, D. Clive Williams, Daniela M. Zisterer

Journal:

Cancer Chemotherapy and Pharmacology

Year:

2010

Language:

english

File:

PDF, 564 KB

english, 2010

7

Modelling Metal Complexes of Calixarene Esters and Phosphine Oxides Using Molecular Mechanics

Paddy Kane, Kevin Kincaid, Darren Fayne, Dermot Diamond, M. Anthony McKervey

Journal:

Journal of Molecular Modeling

Year:

2000

Language:

english

File:

PDF, 396 KB

english, 2000

8

Modelling of the Sodium Complex of a Calixarene Tetraester in the 1,3-Alternate Conformation

Paddy Kane, Darren Fayne, Dermot Diamond, Steven E. J. Bell, M. Anthony McKervey

Journal:

Journal of Molecular Modeling

Year:

1998

Language:

english

File:

PDF, 228 KB

english, 1998

9

Molecular Modeling of Calixarenes with Group I Metal Ions

Steven E. J. Bell, M. Anthony McKervey, Darren Fayne, Patrick Kane, Dermot Diamond

Journal:

Journal of Molecular Modeling

Year:

1998

Language:

english

File:

PDF, 439 KB

english, 1998

10

Permuting input for more effective sampling of 3D conformer space

Giorgio Carta, Valeria Onnis, Andrew J. S. Knox, Darren Fayne, David G. Lloyd

Journal:

Journal of Computer-Aided Molecular Design

Year:

2006

Language:

english

File:

PDF, 430 KB

english, 2006

11

Comprehensive characterization of cytochrome P450 isozyme selectivity across chemical libraries

Veith, Henrike, Southall, Noel, Huang, Ruili, James, Tim, Fayne, Darren, Artemenko, Natalia, Shen, Min, Inglese, James, Austin, Christopher P, Lloyd, David G

Journal:

Nature Biotechnology

Year:

2009

Language:

english

File:

PDF, 588 KB

english, 2009

12

Integrated Virtual Screening for the Identification of Novel and Selective Peroxisome Proliferator-Activated Receptor (PPAR) Scaffolds

Nevin, Daniel K., Peters, Martin B., Carta, Giorgio, Fayne, Darren, Lloyd, David G.

Journal:

Journal of Medicinal Chemistry

Year:

2012

Language:

english

File:

PDF, 3.69 MB

english, 2012

13

Consensus Computational Ligand-Based Design for the Identification of Novel Modulators of Human Estrogen Receptor Alpha

Paul B. McKay, Darren Fayne, Hans W. Horn, Timothy James, Martin B. Peters, Giorgio Carta, Laura Caboni, Daniel K. Nevin, Trevor Price, Geoff Bradley, D. Clive Williams, Julia E. Rice, David G. Lloyd

Journal:

Molecular Informatics

Year:

2012

Language:

english

File:

PDF, 1.46 MB

english, 2012

14

Oncology exploration: charting cancer medicinal chemistry space

David G. Lloyd, Georgia Golfis, Andrew J.S. Knox, Darren Fayne, Mary J. Meegan, Tudor I. Oprea

Journal:

Drug Discovery Today

Year:

2006

Language:

english

File:

PDF, 1.38 MB

english, 2006

15

Study of E/Z Isomerization in a Series of Novel Non-ligand Binding Pocket Androgen Receptor Antagonists

Blanco, Fernando, Egan, Billy, Caboni, Laura, Elguero, José, O’Brien, John, McCabe, Thomas, Fayne, Darren, Meegan, Mary J., Lloyd, David G.

Journal:

Journal of Chemical Information and Modeling

Year:

2012

Language:

english

File:

PDF, 2.36 MB

english, 2012

16

“True” Antiandrogens—Selective Non-Ligand-Binding Pocket Disruptors of Androgen Receptor–Coactivator Interactions: Novel Tools for Prostate Cancer

Caboni, Laura, Kinsella, Gemma K., Blanco, Fernando, Fayne, Darren, Jagoe, William N., Carr, Miriam, Williams, D. Clive, Meegan, Mary J., Lloyd, David G.

Journal:

Journal of Medicinal Chemistry

Year:

2012

Language:

english

File:

PDF, 426 KB

english, 2012

17

Virtual Screening for the Identification of Novel Nonsteroidal Glucocorticoid Modulators

Onnis, Valeria, Kinsella, Gemma K., Carta, Giorgio, Jagoe, William N., Price, Trevor, Williams, D. Clive, Fayne, Darren, Lloyd, David G.

Journal:

Journal of Medicinal Chemistry

Year:

2010

Language:

english

File:

PDF, 3.67 MB

english, 2010

18

De-peptidising protein–protein interactions – big jobs for small molecules

Journal:

Drug Discovery Today: Technologies

Year:

2013

Language:

english

File:

PDF, 1.89 MB

english, 2013

19

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

Caboni, Laura, Gálvez-Llompart, Maria, Gálvez, Jorge, Blanco, Fernando, Rubio-Martinez, Jaime, Fayne, Darren, Lloyd, David G.

Journal:

Journal of Chemical Information and Modeling

Year:

2014

Language:

english

File:

PDF, 5.68 MB

english, 2014

20

Structure–Activity Relationships in Non-Ligand Binding Pocket (Non-LBP) Diarylhydrazide Antiandrogens

Caboni, Laura, Egan, Billy, Kelly, Brendan, Blanco, Fernando, Fayne, Darren, Meegan, Mary J., Lloyd, David G.

Journal:

Journal of Chemical Information and Modeling

Year:

2013

Language:

english

File:

PDF, 1.68 MB

english, 2013

21

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

Knox, Andrew J. S., Price, Trevor, Pawlak, Michal, Golfis, Georgia, Flood, Christopher T., Fayne, Darren, Williams, D. Clive, Meegan, Mary J., Lloyd, David G.

Journal:

Journal of Medicinal Chemistry

Year:

2009

Language:

english

File:

PDF, 1.09 MB

english, 2009

22

Rational structure-based drug design and optimization in the ligand-binding domain of the glucocorticoid receptor-α

Onnis, Valeria, Kinsella, Gemma K, Carta, Giorgio, Fayne, Darren, Lloyd, David G

Journal:

Future Medicinal Chemistry

Year:

2009

Language:

english

File:

PDF, 2.90 MB

english, 2009

23

The antidepressants maprotiline and fluoxetine have potent selective antiproliferative effects against Burkitt lymphoma independently of the norepinephrine and serotonin transporters

Cloonan, Suzanne M., Drozgowska, Aleksandra, Fayne, Darren, Williams, D. Clive

Journal:

Leukemia and Lymphoma

Year:

2010

Language:

english

File:

PDF, 1.50 MB

english, 2010

24

Synthesis, antiproliferative and pro-apoptotic activity of 2-phenylindoles

Kelly, Patrick M., Bright, Sandra A., Fayne, Darren, Pollock, Jade K., Zisterer, Daniela M., Williams, D. Clive, Meegan, Mary J.

Journal:

Bioorganic & Medicinal Chemistry

Year:

2016

Language:

english

File:

PDF, 2.24 MB

english, 2016

25

Retinazone inhibits certain blood-borne human viruses including Ebola virus Zaire

Kesel, Andreas J, Huang, Zhuhui, Murray, Michael G, Prichard, Mark N, Caboni, Laura, Nevin, Daniel K, Fayne, Darren, Lloyd, David G, Detorio, Mervi A, Schinazi, Raymond F

Journal:

Antiviral Chemistry & Chemotherapy

Year:

2013

Language:

english

File:

PDF, 457 KB

english, 2013

26

β-Lactam analogues of combretastatin A-4 prevent metabolic inactivation by glucuronidation in chemoresistant HT-29 colon cancer cells

Malebari, Azizah M., Greene, Lisa M., Nathwani, Seema M., Fayne, Darren, O'Boyle, Niamh M., Wang, Shu, Twamley, Brendan, Zisterer, Daniela M., Meegan, Mary J.

Journal:

European Journal of Medicinal Chemistry

Year:

2017

Language:

english

File:

PDF, 3.21 MB

english, 2017

27

Novel Selective Estrogen Receptor Ligand Conjugates Incorporating Endoxifen-Combretastatin and Cyclofenil-Combretastatin Hybrid Scaffolds: Synthesis and Biochemical Evaluation

Kelly, Patrick, Keely, Niall, Bright, Sandra, Yassin, Bassem, Ana, Gloria, Fayne, Darren, Zisterer, Daniela, Meegan, Mary

Journal:

Year:

2017

Language:

english

File:

PDF, 2.75 MB

english, 2017

28

Single point mutations reveal amino acid residues important for Chromobacterium violaceum transaminase activity in the production of unnatural amino acids

Almahboub, Sarah A., Narancic, Tanja, Fayne, Darren, O’Connor, Kevin E.

Journal:

Scientific Reports

Year:

2018

Language:

english

File:

PDF, 2.18 MB

english, 2018

29

Design, Synthesis and Biochemical Evaluation of Combretastatin A-4 Piperazine Conjugates as Microtubule-Destabilising Agents

O'Boyle, Niamh, Ana, Gloria, Kelly, Patrick M, Nathwani, Seema, Noorani, Sara, Fayne, Darren, Bright, Sandra A, Twamley, Brendan, Zisterer, Daniela, Meegan, M J

Journal:

Organic & Biomolecular Chemistry

Year:

2019

Language:

english

File:

PDF, 1.38 MB

english, 2019

30

β-Lactams with antiproliferative and antiapoptotic activity in breast and chemoresistant colon cancer cells

Malebari, Azizah M., Fayne, Darren, Nathwani, Seema M., O’Connell, Fiona, Noorani, Sara, Twamley, Brendan, O’Boyle, Niamh M., O’Sullivan, Jacintha, Zisterer, Daniela M., Meegan, Mary J.

Journal:

European Journal of Medicinal Chemistry

Year:

2020

File:

PDF, 2.51 MB

2020

31

Synthesis, Antiproliferative and Pro-Apoptotic Effects of Nitrostyrenes and Related Compounds in Burkitt's Lymphoma

Byrne, Andrew J., Bright, Sandra A., Fayne, Darren, McKeown, James P., McCabe, Thomas, Twamley, Brendan, Williams, Clive, Meegan, Mary J.

Journal:

Medicinal Chemistry

Year:

2018

Language:

english

File:

PDF, 1.96 MB

english, 2018

32

Synthesis, Anti-proliferative Activity, and Molecular Docking Study of New Series of 1,3-5-Triazine Schiff Base Derivatives

Al Rasheed, Hessa H., Malebari, Azizah M., Dahlous, Kholood A., Fayne, Darren, El-Faham, Ayman

Journal:

Year:

2020

File:

PDF, 1.58 MB

2020