Search Results - "Yi Mok, N."

On the origins of three-dimensionality in drug-like molecules by Meyers, Joshua, Carter, Michael, Mok, N Yi, Brown, Nathan

“…Many medicinal chemistry-relevant structures and core scaffolds tend toward geometric planarity, which hampers the optimization of physicochemical properties…”
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C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays by Le Bihan, Yann-Vaï, Lanigan, Rachel M., Atrash, Butrus, McLaughlin, Mark G., Velupillai, Srikannathasan, Malcolm, Andrew G., England, Katherine S., Ruda, Gian Filippo, Mok, N. Yi, Tumber, Anthony, Tomlin, Kathy, Saville, Harry, Shehu, Erald, McAndrew, Craig, Carmichael, LeAnne, Bennett, James M., Jeganathan, Fiona, Eve, Paul, Donovan, Adam, Hayes, Angela, Wood, Francesca, Raynaud, Florence I., Fedorov, Oleg, Brennan, Paul E., Burke, Rosemary, van Montfort, Rob L.M., Rossanese, Olivia W., Blagg, Julian, Bavetsias, Vassilios

“…Residues in the histone substrate binding sites that differ between the KDM4 and KDM5 subfamilies were identified. Subsequently, a C8-substituted…”
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Mining the ChEMBL Database: An Efficient Chemoinformatics Workflow for Assembling an Ion Channel-Focused Screening Library by Mok, N. Yi, Brenk, Ruth

“…The ChEMBL database was mined to efficiently assemble an ion channel-focused screening library. The compiled library consists of 3241 compounds representing…”
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Discovery of novel non-peptide inhibitors of BACE-1 using virtual high-throughput screening by Yi Mok, N., Chadwick, James, Kellett, Katherine A.B., Hooper, Nigel M., Johnson, A. Peter, Fishwick, Colin W.G.

“…A novel series of isatin-based inhibitors of β-secretase (BACE-1) have been identified using a virtual high-throughput screening approach. Structure–activity…”
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Exploiting Vector Pattern Diversity of Molecular Scaffolds for Cheminformatics Tasks in Drug Discovery by Dolciami, Daniela, Ziolek, Robert M., Davies, Daniel W., Carter, Michael, Mok, N. Yi, Sherhod, Richard

“…Chemical diversity is challenging to describe objectively. Despite this, various notions of chemical diversity are used throughout the medicinal chemistry…”
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Applications of Systematic Molecular Scaffold Enumeration to Enrich Structure–Activity Relationship Information by Mok, N. Yi, Brown, Nathan

“…Establishing structure–activity relationships (SARs) in hit identification during early stage drug discovery is important in accelerating hit confirmation and…”
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Optimisation of the Anti-Trypanosoma brucei Activity of the Opioid Agonist U50488 by Smith, Victoria C., Cleghorn, Laura A. T., Woodland, Andrew, Spinks, Daniel, Hallyburton, Irene, Collie, Iain T., Yi Mok, N., Norval, Suzanne, Brenk, Ruth, Fairlamb, Alan H., Frearson, Julie A., Read, Kevin D., Gilbert, Ian H., Wyatt, Paul G.

“…Screening of the Sigma–Aldrich Library of Pharmacologically Active Compounds (LOPAC) against cultured Trypanosoma brucei, the causative agent of African…”
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Locating Sweet Spots for Screening Hits and Evaluating Pan-Assay Interference Filters from the Performance Analysis of Two Lead-like Libraries by Mok, N. Yi, Maxe, Sara, Brenk, Ruth

“…The efficiency of automated compound screening is heavily influenced by the design and the quality of the screening libraries used. We recently reported on the…”
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Increasing the Coverage of Medicinal Chemistry-Relevant Space in Commercial Fragments Screening by Mok, N. Yi, Brenk, Ruth, Brown, Nathan

“…Analyzing the chemical space coverage in commercial fragment screening collections revealed the overlap between bioactive medicinal chemistry substructures and…”
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HSF1 Pathway Inhibitor Clinical Candidate (CCT361814/NXP800) Developed from a Phenotypic Screen as a Potential Treatment for Refractory Ovarian Cancer and Other Malignancies by Pasqua, A. Elisa, Sharp, Swee Y., Chessum, Nicola E. A., Hayes, Angela, Pellegrino, Loredana, Tucker, Michael J., Miah, Asadh, Wilding, Birgit, Evans, Lindsay E., Rye, Carl S., Mok, N. Yi, Liu, Manjuan, Henley, Alan T., Gowan, Sharon, De Billy, Emmanuel, te Poele, Robert, Powers, Marissa, Eccles, Suzanne A., Clarke, Paul A., Raynaud, Florence I., Workman, Paul, Jones, Keith, Cheeseman, Matthew D.

“…CCT251236 1, a potent chemical probe, was previously developed from a cell-based phenotypic high-throughput screen (HTS) to discover inhibitors of…”
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8‑Substituted Pyrido[3,4‑d]pyrimidin-4(3H)‑one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors by Bavetsias, Vassilios, Lanigan, Rachel M, Ruda, Gian Filippo, Atrash, Butrus, McLaughlin, Mark G, Tumber, Anthony, Mok, N. Yi, Le Bihan, Yann-Vaï, Dempster, Sally, Boxall, Katherine J, Jeganathan, Fiona, Hatch, Stephanie B, Savitsky, Pavel, Velupillai, Srikannathasan, Krojer, Tobias, England, Katherine S, Sejberg, Jimmy, Thai, Ching, Donovan, Adam, Pal, Akos, Scozzafava, Giuseppe, Bennett, James M, Kawamura, Akane, Johansson, Catrine, Szykowska, Aleksandra, Gileadi, Carina, Burgess-Brown, Nicola A, von Delft, Frank, Oppermann, Udo, Walters, Zoe, Shipley, Janet, Raynaud, Florence I, Westaway, Susan M, Prinjha, Rab K, Fedorov, Oleg, Burke, Rosemary, Schofield, Christopher J, Westwood, Isaac M, Bountra, Chas, Müller, Susanne, van Montfort, Rob L. M, Brennan, Paul E, Blagg, Julian

“…We report the discovery of N-substituted 4-(pyridin-2-yl)­thiazole-2-amine derivatives and their subsequent optimization, guided by structure-based design, to…”
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Privileged Structures and Polypharmacology within and between Protein Families by Meyers, Joshua, Chessum, Nicola E. A, Ali, Salyha, Mok, N. Yi, Wilding, Birgit, Pasqua, A. Elisa, Rowlands, Martin, Tucker, Michael J, Evans, Lindsay E, Rye, Carl S, O’Fee, Lisa, Le Bihan, Yann-Vaï, Burke, Rosemary, Carter, Michael, Workman, Paul, Blagg, Julian, Brown, Nathan, van Montfort, Rob L. M, Jones, Keith, Cheeseman, Matthew D

“…Polypharmacology is often a key contributor to the efficacy of a drug, but is also a potential risk. We investigated two hits discovered via a cell-based…”
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Pyrido[3,4-d]pyrimidin-4(3H)-one metabolism mediated by aldehyde oxidase is blocked by C2-substitution by Hayes, Angela, Mok, N. Yi, Liu, Manjuan, Thai, Ching, Henley, Alan T., Atrash, Butrus, Lanigan, Rachel M., Sejberg, Jimmy, Le Bihan, Yann-Vaï, Bavetsias, Vassilios, Blagg, Julian, Raynaud, Florence I.

“…1. We have previously described C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-one derivatives as cell permeable inhibitors of the KDM4 and KDM5 subfamilies of…”
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Discovery of Biphenylacetamide-Derived Inhibitors of BACE1 Using de Novo Structure-Based Molecular Design by Mok, N. Yi, Chadwick, James, Kellett, Katherine A. B, Casas-Arce, Eva, Hooper, Nigel M, Johnson, A. Peter, Fishwick, Colin W. G

“…β-Secretase (BACE1), the enzyme responsible for the first and rate-limiting step in the production of amyloid-β peptides, is an attractive target for the…”
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