Search Results - "Willems, Henriette M. G"

The Identification of Potent, Selective, and Brain Penetrant PI5P4Kγ Inhibitors as In Vivo-Ready Tool Molecules by Rooney, Timothy P. C., Aldred, Gregory G., Boffey, Helen K., Willems, Henriëtte M. G., Edwards, Simon, Chawner, Stephen J., Scott, Duncan E., Green, Christopher, Winpenny, David, Skidmore, John, Clarke, Jonathan H., Andrews, Stephen P.

“…Owing to their central role in regulating cell signaling pathways, the phosphatidylinositol 5-phosphate 4-kinases (PI5P4Ks) are attractive therapeutic targets…”
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Systematic Investigation of the Permeability of Androgen Receptor PROTACs by Scott, Duncan E, Rooney, Timothy P. C, Bayle, Elliott D, Mirza, Tashfina, Willems, Henriette M. G, Clarke, Jonathan H, Andrews, Stephen P, Skidmore, John

“…Bifunctional molecules known as PROTACs simultaneously bind an E3 ligase and a protein of interest to direct ubiquitination and clearance of that protein, and…”
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Monoacidic Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2‑Related Factor 2 (KEAP1:NRF2) Protein–Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery by Davies, Thomas G, Wixted, William E, Coyle, Joseph E, Griffiths-Jones, Charlotte, Hearn, Keisha, McMenamin, Rachel, Norton, David, Rich, Sharna J, Richardson, Caroline, Saxty, Gordon, Willems, Henriëtte M. G, Woolford, Alison J.-A, Cottom, Joshua E, Kou, Jen-Pyng, Yonchuk, John G, Feldser, Heidi G, Sanchez, Yolanda, Foley, Joseph P, Bolognese, Brian J, Logan, Gregory, Podolin, Patricia L, Yan, Hongxing, Callahan, James F, Heightman, Tom D, Kerns, Jeffrey K

“…KEAP1 is the key regulator of the NRF2-mediated cytoprotective response, and increasingly recognized as a target for diseases involving oxidative stress…”
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The rational design of ARUK2007145, a dual inhibitor of the α and γ isoforms of the lipid kinase phosphatidylinositol 5-phosphate 4-kinase (PI5P4K) by Aldred, Gregory G, Rooney, Timothy P. C, Willems, Henriette M. G, Boffey, Helen K, Green, Christopher, Winpenny, David, Skidmore, John, Clarke, Jonathan H, Andrews, Stephen P

“…The phosphatidylinositol 5-phosphate 4-kinases (PI5P4Ks) are therapeutic targets for diseases such as cancer, neurodegeneration and immunological disorders as…”
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Structure–Activity and Structure–Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2‑Related Factor 2 (KEAP1/NRF2) Protein–Protein Interaction by Heightman, Tom D, Callahan, James F, Chiarparin, Elisabetta, Coyle, Joseph E, Griffiths-Jones, Charlotte, Lakdawala, Ami S, McMenamin, Rachel, Mortenson, Paul N, Norton, David, Peakman, Torren M, Rich, Sharna J, Richardson, Caroline, Rumsey, William L, Sanchez, Yolanda, Saxty, Gordon, Willems, Henriëtte M. G, Wolfe, Lawrence, Woolford, Alison J.-A, Wu, Zining, Yan, Hongxing, Kerns, Jeffrey K, Davies, Thomas G

“…The KEAP1–NRF2-mediated cytoprotective response plays a key role in cellular homoeostasis. Insufficient NRF2 signaling during chronic oxidative stress may be…”
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Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein−Protein Interaction by Norton, David, Bonnette, William G, Callahan, James F, Carr, Maria G, Griffiths-Jones, Charlotte M, Heightman, Tom D, Kerns, Jeffrey K, Nie, Hong, Rich, Sharna J, Richardson, Caroline, Rumsey, William, Sanchez, Yolanda, Verdonk, Marcel L, Willems, Henriëtte M. G, Wixted, William E, Woolford, Alison J.-A, Wu, Zining, Davies, Thomas G

“…The NRF2-mediated cytoprotective response is central to cellular homoeostasis, and there is increasing interest in developing small-molecule activators of this…”
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Identification of ARUK2002821 as an isoform-selective PI5P4Kα inhibitor by Willems, Henriëtte M. G, Edwards, Simon, Boffey, Helen K, Chawner, Stephen J, Green, Christopher, Romero, Tamara, Winpenny, David, Skidmore, John, Clarke, Jonathan H, Andrews, Stephen P

“…The phosphatidylinositol 5-phosphate 4-kinases (PI5P4Ks) play a central role in regulating cell signalling pathways and, as such, have become therapeutic…”
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Small-Molecule Inhibitors of the MDM2-p53 Protein−Protein Interaction Based on an Isoindolinone Scaffold by Hardcastle, Ian R, Ahmed, Shafiq U, Atkins, Helen, Farnie, Gillian, Golding, Bernard T, Griffin, Roger J, Guyenne, Sabrina, Hutton, Claire, Källblad, Per, Kemp, Stuart J, Kitching, Martin S, Newell, David R, Norbedo, Stefano, Northen, Julian S, Reid, Rebecca J, Saravanan, K, Willems, Henriëtte M. G, Lunec, John

“…From a set of weakly potent lead compounds, using in silico screening and small library synthesis, a series of 2-alkyl-3-aryl-3-alkoxyisoindolinones has been…”
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Development of Selective Phosphatidylinositol 5‑Phosphate 4‑Kinase γ Inhibitors with a Non-ATP-competitive, Allosteric Binding Mode by Boffey, Helen K., Rooney, Timothy P. C., Willems, Henriette M. G., Edwards, Simon, Green, Christopher, Howard, Tina, Ogg, Derek, Romero, Tamara, Scott, Duncan E., Winpenny, David, Duce, James, Skidmore, John, Clarke, Jonathan H., Andrews, Stephen P.

“…Phosphatidylinositol 5-phosphate 4-kinases (PI5P4Ks) are emerging as attractive therapeutic targets in diseases, such as cancer, immunological disorders, and…”
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Disease phenotypic screening in neuron-glia cocultures identifies blockers of inflammatory neurodegeneration by Birkle, Timothy J.Y., Willems, Henriette M.G., Skidmore, John, Brown, Guy C.

“…Neuropathology is often mediated by interactions between neurons and glia that cannot be modeled by monocultures. However, cocultures are difficult to use and…”
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Generation and Selection of Novel Estrogen Receptor Ligands Using the De Novo Structure-Based Design Tool, SkelGen by Firth-Clark, Stuart, Willems, Henriëtte M. G, Williams, Anthony, Harris, William

“…A de novo design approach to generating novel estrogen receptor (ER) ligands is described. The SkelGen program was used to generate ligands in the active sites…”
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De Novo Ligand Design to Partially Flexible Active Sites:  Application of the ReFlex Algorithm to Carboxypeptidase A, Acetylcholinesterase, and the Estrogen Receptor by Firth-Clark, Stuart, Kirton, Stewart B, Willems, Henriëtte M. G, Williams, Anthony

“…Reflex is a recent algorithm in the de novo ligand design software, SkelGen, that allows the flexibility of amino acid side chains in a protein to be taken…”
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Receptor Flexibility in the in Silico Screening of Reagents in the S1‘ Pocket of Human Collagenase by Källblad, Per, Todorov, Nikolay P, Willems, Henriëtte M. G, Alberts, Ian L

“…A major difficulty in structure-based molecular design is the prediction of the structure of the protein−ligand complex because of the enormous number of…”
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Isoindolinone-based inhibitors of the MDM2–p53 protein–protein interaction by Hardcastle, Ian R., Ahmed, Shafiq U., Atkins, Helen, Calvert, A. Hilary, Curtin, Nicola J., Farnie, Gillian, Golding, Bernard T., Griffin, Roger J., Guyenne, Sabrina, Hutton, Claire, Källblad, Per, Kemp, Stuart J., Kitching, Martin S., Newell, David R., Norbedo, Stefano, Northen, Julian S., Reid, Rebecca J., Saravanan, K., Willems, Henriëtte M.G., Lunec, John

“…The design, synthesis and evaluation of 24 isoindolinones as potential inhibitors of the MDM2–p53 interaction is described. The most potent inhibitor NU8231…”
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SynthFormer: Equivariant Pharmacophore-based Generation of Molecules for Ligand-Based Drug Design by Jocys, Zygimantas, Willems, Henriette M. G, Farrahi, Katayoun

“…Drug discovery is a complex and resource-intensive process, with significant time and cost investments required to bring new medicines to patients. Recent…”
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