From fragment to clinical candidate—a historical perspective von Chessari, Gianni, Woodhead, Andrew J.

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ASTX660, a Novel Non-peptidomimetic Antagonist of cIAP1/2 and XIAP, Potently Induces TNFα-Dependent Apoptosis in Cancer Cell Lines and Inhibits Tumor Growth von Ward, George A, Lewis, Edward J, Ahn, Jong Sook, Johnson, Christopher N, Lyons, John F, Martins, Vanessa, Munck, Joanne M, Rich, Sharna J, Smyth, Tomoko, Thompson, Neil T, Williams, Pamela A, Wilsher, Nicola E, Wallis, Nicola G, Chessari, Gianni

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Diverse, High-Quality Test Set for the Validation of Protein−Ligand Docking Performance von Hartshorn, Michael J, Verdonk, Marcel L, Chessari, Gianni, Brewerton, Suzanne C, Mooij, Wijnand T. M, Mortenson, Paul N, Murray, Christopher W

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Discovery of (2,4-Dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by... von Woodhead, Andrew J, Angove, Hayley, Carr, Maria G, Chessari, Gianni, Congreve, Miles, Coyle, Joseph E, Cosme, Jose, Graham, Brent, Day, Philip J, Downham, Robert, Fazal, Lynsey, Feltell, Ruth, Figueroa, Eva, Frederickson, Martyn, Lewis, Jonathan, McMenamin, Rachel, Murray, Christopher W, O’Brien, M. Alistair, Parra, Lina, Patel, Sahil, Phillips, Theresa, Rees, David C, Rich, Sharna, Smith, Donna-Michelle, Trewartha, Gary, Vinkovic, Mladen, Williams, Brian, Woolford, Alison J.-A

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Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function von Saalau-Bethell, Susanne M, Woodhead, Andrew J, Chessari, Gianni, Carr, Maria G, Coyle, Joseph, Graham, Brent, Hiscock, Steven D, Murray, Christopher W, Pathuri, Puja, Rich, Sharna J, Richardson, Caroline J, Williams, Pamela A, Jhoti, Harren

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Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors von Howard, Nigel, Abell, Chris, Blakemore, Wendy, Chessari, Gianni, Congreve, Miles, Howard, Steven, Jhoti, Harren, Murray, Christopher W, Seavers, Lisa C. A, van Montfort, Rob L. M

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Trisubstituted Acridine Derivatives as Potent and Selective Telomerase Inhibitors von Harrison, R. John, Cuesta, Javier, Chessari, Gianni, Read, Martin A, Basra, Sanji K, Reszka, Anthony P, Morrell, James, Gowan, Sharon M, Incles, Christopher M, Tanious, Farial A, Wilson, W. David, Kelland, Lloyd R, Neidle, Stephen

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Electrostatic Complementarity in Structure-Based Drug Design von Cons, Benjamin D, Twigg, David G, Kumar, Rajendra, Chessari, Gianni

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Electrostatic Complementarity in Structure-Based Drug Design: Miniperspective von Cons, Benjamin D., Twigg, David G., Kumar, Rajendra, Chessari, Gianni

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Recent Developments in Fragment-Based Drug Discovery von Congreve, Miles, Chessari, Gianni, Tisi, Dominic, Woodhead, Andrew J

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C-H functionalisation tolerant to polar groups could transform fragment-based drug discovery (FBDD) von Chessari, Gianni, Grainger, Rachel, Holvey, Rhian S, Ludlow, R. Frederick, Mortenson, Paul N, Rees, David C

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The preclinical pharmacokinetics of Tolinapant-A dual cIAP1/XIAP antagonist with in vivo efficacy von Martins, Vanessa, Ward, George, Smyth, Tomoko, Reader, Mike, Chessari, Gianni, Johnson, Chris, Wilsher, Nicola

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Accelerated Chemical Reaction Optimization Using Multi-Task Learning von Taylor, Connor J., Felton, Kobi C., Wigh, Daniel, Jeraal, Mohammed I., Grainger, Rachel, Chessari, Gianni, Johnson, Christopher N., Lapkin, Alexei A.

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X‑ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor von St. Denis, Jeffrey D., Chessari, Gianni, Cleasby, Anne, Cons, Benjamin D., Cowan, Suzanna, Dalton, Samuel E., East, Charlotte, Murray, Christopher W., O’Reilly, Marc, Peakman, Torren, Rapti, Magdalini, Stow, Jessie L.

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A Fragment-Derived Clinical Candidate for Antagonism of X‑Linked and Cellular Inhibitor of Apoptosis Proteins: 1‑(6-[(4-Fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl‑1H,2H,3H... von Johnson, Christopher N., Ahn, Jong Sook, Buck, Ildiko M., Chiarparin, Elisabetta, Day, James E. H., Hopkins, Anna, Howard, Steven, Lewis, Edward J., Martins, Vanessa, Millemaggi, Alessia, Munck, Joanne M., Page, Lee W., Peakman, Torren, Reader, Michael, Rich, Sharna J., Saxty, Gordon, Smyth, Tomoko, Thompson, Neil T., Ward, George A., Williams, Pamela A., Wilsher, Nicola E., Chessari, Gianni

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Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X‑Linked Inhibitor of Apoptosis Protein (XIAP) von Tamanini, Emiliano, Buck, Ildiko M, Chessari, Gianni, Chiarparin, Elisabetta, Day, James E. H, Frederickson, Martyn, Griffiths-Jones, Charlotte M, Hearn, Keisha, Heightman, Tom D, Iqbal, Aman, Johnson, Christopher N, Lewis, Edward J, Martins, Vanessa, Peakman, Torren, Reader, Michael, Rich, Sharna J, Ward, George A, Williams, Pamela A, Wilsher, Nicola E

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Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein–Protein Interaction von Chessari, Gianni, Hardcastle, Ian R, Ahn, Jong Sook, Anil, Burcu, Anscombe, Elizabeth, Bawn, Ruth H, Bevan, Luke D, Blackburn, Timothy J, Buck, Ildiko, Cano, Celine, Carbain, Benoit, Castro, Juan, Cons, Ben, Cully, Sarah J, Endicott, Jane A, Fazal, Lynsey, Golding, Bernard T, Griffin, Roger J, Haggerty, Karen, Harnor, Suzannah J, Hearn, Keisha, Hobson, Stephen, Holvey, Rhian S, Howard, Steven, Jennings, Claire E, Johnson, Christopher N, Lunec, John, Miller, Duncan C, Newell, David R, Noble, Martin E. M, Reeks, Judith, Revill, Charlotte H, Riedinger, Christiane, St. Denis, Jeffrey D, Tamanini, Emiliano, Thomas, Huw, Thompson, Neil T, Vinković, Mladen, Wedge, Stephen R, Williams, Pamela A, Wilsher, Nicola E, Zhang, Bian, Zhao, Yan

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Enabling synthesis in fragment-based drug discovery (FBDD): microscale high-throughput optimisation of the medicinal chemist's toolbox reactions von Townley, Chloe, Branduardi, Davide, Chessari, Gianni, Cons, Benjamin D, Griffiths-Jones, Charlotte, Hall, Richard J, Johnson, Christopher N, Ochi, Yuji, Whibley, Stuart, Grainger, Rachel

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Modeling Water Molecules in Protein−Ligand Docking Using GOLD von Verdonk, Marcel L, Chessari, Gianni, Cole, Jason C, Hartshorn, Michael J, Murray, Christopher W, Nissink, J. Willem M, Taylor, Richard D, Taylor, Robin

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Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP von Chessari, Gianni, Buck, Ildiko M, Day, James E. H, Day, Philip J, Iqbal, Aman, Johnson, Christopher N, Lewis, Edward J, Martins, Vanessa, Miller, Darcey, Reader, Michael, Rees, David C, Rich, Sharna J, Tamanini, Emiliano, Vitorino, Marc, Ward, George A, Williams, Pamela A, Williams, Glyn, Wilsher, Nicola E, Woolford, Alison J.-A

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