Rapid Covalent-Probe Discovery by Electrophile-Fragment Screening

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Items 101–200 of 349

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    Kazuki Z. Yamamoto, Nobuaki Yasuo, Masakazu Sekijima · 2022 · Journal of Chemical Information and Modeling
  2. Redox active or thiol reactive? Optimization of rapid screens to identify less evident nuisance compounds
    Matic Proj, Damijan Knez, Izidor Sosič, Stanislav Gobec · 2022 · Drug Discovery Today
  3. Innovative design and potential applications of covalent strategy in drug discovery
    Tianyong Tang, Jiaxiang Luo, Dan Zhang, Yang Lü, Wen Liao, Jifa Zhang · 2024 · European Journal of Medicinal Chemistry
  4. Assessment of Tractable Cysteines for Covalent Targeting by Screening Covalent Fragments
    László Petri, Péter Ábrányi‐Balogh, Tı́mea Imre, Gyula Pálfy, András Perczel, Damijan Knez, Martina Hrast, Martina Gobec, Izidor Sosič, Kinga Nyíri et al. · 2020 · ChemBioChem
  5. Design, synthesis and bioevaluation of 1,2,4-thiadiazolidine-3,5-dione derivatives as potential GSK-3β inhibitors for the treatment of Alzheimer's disease
    Dong, Yongxi, Lu, Jun, Zhang, Shanhui, Chen, Lina, Wen, Jinlan, Wang, Fang, Mao, Yongqing, Li, Lei, Zhang, Jiquan, Liao, Shanggao et al. · 2023 · Bioorganic Chemistry
  6. Expedited SARS‐CoV‐2 Main Protease Inhibitor Discovery through Modular ‘Direct‐to‐Biology’ Screening
    Harry Wilders, George S. Biggs, Sam M. Rowe, Emma E. Cawood, Ioannis G. Riziotis, Alan R. Rendina, Emma K. Grant, Jonathan Pettinger, David J. Fallon, Mark J. Skehel et al. · 2024 · Angewandte Chemie International Edition
  7. Electrophilic Natural Products as Drug Discovery Tools
    Paul Gehrtz, Nir London · 2021 · Trends in Pharmacological Sciences
  8. Covalent flexible peptide docking in Rosetta
    Barr Tivon, Ronen Gabizon, Bente A. Somsen, Peter J. Cossar, Christian Ottmann, Nir London · 2021 · Chemical Science
  9. Advances in reversible covalent kinase inhibitors
    Zheng Zhao, Philip E. Bourne · 2024 · Medicinal Research Reviews
  10. Delineating cysteine-reactive compound modulation of cellular proteostasis processes
    Ashley R. Julio, Flowreen Shikwana, Cindy C. Truong, Nikolas R. Burton, Emil R. Dominguez, Alexandra C. Turmon, Jian Xin Cao, Keriann M. Backus · 2024 · Nature Chemical Biology
  11. Covalent inhibitors of bacterial peptidoglycan biosynthesis enzyme MurA with chloroacetamide warhead
    Katarina Grabrijan, Martina Hrast, Matic Proj, Ana Dolšak, Irena Zdovc, Tı́mea Imre, László Petri, Péter Ábrányi‐Balogh, György Miklós Keserű, Stanislav Gobec · 2022 · European Journal of Medicinal Chemistry
  12. Discovery and optimization of covalent Bcl-xL antagonists
    Herschel Mukherjee, Nancy Su, Matthew A. Belmonte, David Hargreaves, Joe Sahil Patel, Sharon Tentarelli, Brian M. Aquila, Neil P. Grimster · 2019 · Bioorganic & Medicinal Chemistry Letters
  13. Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion
    Sarah L. Kidd, Elaine Fowler, Till Reinhardt, Thomas Compton, Natalia Mateu, Hector Newman, Dom Bellini, Romain Talon, Joseph McLoughlin, Tobias J. Krojer et al. · 2020 · Chemical Science
  14. Inverse Drug Discovery identifies weak electrophiles affording protein conjugates
    Gabriel M. Kline, Karina Nugroho, Jeffery W. Kelly · 2022 · Current Opinion in Chemical Biology
  15. Technologies for Direct Detection of Covalent Protein–Drug Adducts
    Elma Mons, Robbert Q. Kim, Monique P. C. Mulder · 2023 · Pharmaceuticals
  16. Solid-Phase Compatible Silane-Based Cleavable Linker Enables Custom Isobaric Quantitative Chemoproteomics
    Burton, Nikolas R., Polasky, Daniel A., Shikwana, Flowreen, Ofori, Samuel, Yan, Tianyang, Geiszler, Daniel J., Veiga Leprevost, Felipe da, Nesvizhskii, Alexey I., Backus, Keriann M. · 2023 · Journal of the American Chemical Society
  17. An mRNA Display Approach for Covalent Targeting of a Staphylococcus aureus Virulence Factor
    Sijie Wang, Emily C. Woods, Jeyun Jo, Jiyun Zhu, Althea Hansel-Harris, Matthew Holcomb, Manuel A. Llanos, Nichole J. Pedowitz, Tulsi Upadhyay, John M. Bennett et al. · 2025 · Journal of the American Chemical Society
  18. Many small steps towards a COVID-19 drug
    Daniel A. Erlanson · 2020 · Nature Communications
  19. A loss‐of‐function cysteine mutant in fibulin‐3 (EFEMP1) forms aberrant extracellular disulfide‐linked homodimers and alters extracellular matrix composition
    DaNae R. Woodard, Steffi Daniel, Emi Nakahara, Ali Abbas, Sophia M. DiCesare, Gracen E. Collier, John D. Hulleman · 2022 · Human Mutation
  20. Targeting the ubiquitin system by fragment-based drug discovery
    Cassandra R. Kennedy, Katherine A. McPhie, Katrin Rittinger · 2022 · Frontiers in Molecular Biosciences
  21. Fragmenstein: predicting protein–ligand structures of compounds derived from known crystallographic fragment hits using a strict conserved-binding–based methodology
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  22. Opportunities and challenges for the development of covalent chemical immunomodulators
    Keriann M. Backus, Jian Xin Cao, Sean M. Maddox · 2019 · Bioorganic & Medicinal Chemistry
  23. N -Acylamino Saccharin as an Emerging Cysteine-Directed Covalent Warhead and Its Application in the Identification of Novel FBPase Inhibitors toward Glucose Reduction
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  24. Fragment-based screening: A new paradigm for ligand and target discovery
    Sinéad Knight, Davide Gianni, Adam Hendricks · 2022 · SLAS DISCOVERY
  25. HCovDock: an efficient docking method for modeling covalent protein–ligand interactions
    Qilong Wu, Sheng‐You Huang · 2022 · Briefings in Bioinformatics
  26. Reactive fragments targeting carboxylate residues employing direct to biology, high-throughput chemistry
    Ross P. Thomas, Emma K. Grant, Eleanor R. Dickinson, Francesca Zappacosta, Lee J. Edwards, Michael M. Hann, David House, Nicholas C. O. Tomkinson, Jacob T. Bush · 2023 · RSC Medicinal Chemistry
  27. Evaluation of a Covalent Library of Diverse Warheads (CovLib) Binding to JNK3, USP7, or p53
    Theresa Klett, Martin Schwer, Larissa N. Ernst, Marc U. Engelhardt, Simon Jaag, Benedikt Masberg, Cornelius Knappe, Michael Lämmerhofer, Matthias Gehringer, Frank M. Boeckler · 2024 · Drug Design Development and Therapy
  28. High-Throughput Covalent Modifier Screening with Acoustic Ejection Mass Spectrometry
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  29. Multiparameter Kinetic Analysis for Covalent Fragment Optimization by Using Quantitative Irreversible Tethering (qIT)
    Gregory B. Craven, Dominic P. Affron, Teresa Kösel, Tsz Lam Wong, Zoë Jukes, Chun‐Ting Liu, Rhodri M. L. Morgan, Alan Armstrong, David J. Mann · 2020 · ChemBioChem
  30. Discovery of Non-Cysteine-Targeting Covalent Inhibitors by Activity-Based Proteomic Screening with a Cysteine-Reactive Probe
    Ye‐Jin Jung, Naotaka Noda, Junichiro Takaya, Masahiro Abo, Kohei Toh, Ken Tajiri, Changyi Cui, Lu Zhou, Shin‐ichi Sato, Motonari Uesugi · 2022 · ACS Chemical Biology
  31. Selective Covalent Targeting of Pyruvate Kinase M2 Using Arsenous Warheads
    Wang, Jingyao, Zhou, Shaoqing, Cheng, Yan, Cheng, Lin, Qin, Ying, Zhang, Zhenfeng, Bi, Aiwei, Xiang, Huaijiang, He, Xinheng, Tian, Xiaoxu et al. · 2023 · Journal of Medicinal Chemistry
  32. Tunable Heteroaromatic Nitriles for Selective Bioorthogonal Click Reaction with Cysteine
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  33. Fragment-based drug discovery campaigns guided by native mass spectrometry
    Louise M. Sternicki, Sally‐Ann Poulsen · 2024 · RSC Medicinal Chemistry
  34. Diffusion Limit and the Reactivity/Affinity Conundrum: Implications for Optimization and Hit Finding for Irreversible Modulators
    Bharath Srinivasan · 2025 · Journal of Medicinal Chemistry
  35. Genetic validation of Aspergillus fumigatus phosphoglucomutase as a viable therapeutic target in invasive aspergillosis
    Kaizhou Yan, Mathew Stanley, Bartosz Kowalski, Olawale G. Raimi, Andrew T. Ferenbach, Pingzhen Wei, Wenxia Fang, Daan M. F. van Aalten · 2022 · Journal of Biological Chemistry
  36. Proteolysis-targeting chimeras in biotherapeutics: Current trends and future applications
    Qiong Li, Li Zhou, Siyuan Qin, Zhao Huang, Bowen Li, Bowen Li, Mei Yang, Edouard Collins Nice, Huili Zhu, Canhua Huang · 2023 · European Journal of Medicinal Chemistry
  37. Functionalizing tandem mass tags for streamlining click-based quantitative chemoproteomics
    Nikolas R. Burton, Keriann M. Backus · 2024 · Communications Chemistry
  38. Discovery of RNA-Reactive Small Molecules Guides the Design of Electrophilic Modules for RNA-Specific Covalent Binders
    Noah A. Springer, Patrick R. A. Zanon, Amirhossein Taghavi, Kisu Sung, Matthew David Disney · 2025 · Journal of the American Chemical Society
  39. Discovery of selective fragment-sized immunoproteasome inhibitors
    Levente Kollár, Martina Gobec, Bence Szilágyi, Matic Proj, Damijan Knez, Péter Ábrányi‐Balogh, László Petri, Tı́mea Imre, Dávid Bajusz, György G. Ferenczy et al. · 2021 · European Journal of Medicinal Chemistry
  40. The Current Toolbox for Covalent Inhibitors: From Hit Identification to Drug Discovery
    Mengke You, Hong Liu, Chunpu Li · 2025 · JACS Au
  41. Comparative reactivity profiling of cysteine-specific probes by chemoproteomics
    Fan Yang, Nan Chen, Fengzhang Wang, Guogeng Jia, Chu Wang · 2022 · Current Research in Chemical Biology
  42. N‐Cyanopiperazines as Specific Covalent Inhibitors of the Deubiquitinating Enzyme UCHL1
    Mirko Schmidt, Christian Grethe, Sarah Recknagel, Gian‐Marvin Kipka, Nikolas Klink, Malte Gersch · 2024 · Angewandte Chemie International Edition
  43. SuFEx Chemistry Enables Covalent Assembly of a 280-kDa 18-Subunit Pore-Forming Complex
    Lee Schnaider, Sophia K. Tan, Pratik Raj Singh, Floriana Capuano, Alistair J. Scott, Richard G. Hambley, Lei Lü, Hyunjun Yang, Elizabeth Jayne Wallace, Hyunil Jo et al. · 2024 · Journal of the American Chemical Society
  44. Kinetic mechanisms of covalent inhibition
    Claire L. McWhirter · 2021 · Annual reports in medicinal chemistry
  45. Development of Ubiquitin Variants with Selectivity for Ubiquitin C‑Terminal Hydrolase Deubiquitinases
    Chad S. Hewitt, Aaron D. Krabill, Chittaranjan Das, Daniel Patrick Flaherty · 2020 · Biochemistry
  46. Enantioselective OTUD7B fragment discovery through chemoproteomics screening and high-throughput optimisation
    Aini Vuorinen, Cassandra R. Kennedy, Katherine A. McPhie, William J. McCarthy, Jonathan Pettinger, Mark J. Skehel, David House, Jacob T. Bush, Katrin Rittinger · 2025 · Communications Chemistry
  47. FDA approved drugs with antiviral activity against SARS-CoV-2: From structure-based repurposing to host-specific mechanisms
    Mahmoud S. Ahmed, Ayman Farag, Ian N. Boys, Ping Wang, Ivan Menendez-Montes, Ngoc Uyen Nhi Nguyen, Jennifer L. Eitson, Maikke B. Ohlson, Wenchun Fan, Matthew B. McDougal et al. · 2023 · Biomedicine & Pharmacotherapy
  48. Design of a Lead-Like Cysteine-Targeting Covalent Library and the Identification of Hits to Cys55 of Bfl-1
    Simon C. C. Lucas, Alexander G. Milbradt, J. Henry Blackwell, Silvia Bonomo, Andrew Brierley, Doyle J. Cassar, Jared Freeman, Thomas E. Hadfield, Lucas A. Morrill, Rick Riemens et al. · 2024 · Journal of Medicinal Chemistry
  49. Irreversible inhibition of BoNT/A protease: proximity-driven reactivity contingent upon a bifunctional approach
    Lewis D. Turner, Alexander L. Nielsen, Lucy Q. Lin, Sabine Pellett, Takashi Sugane, Margaret E. Olson, Eric Arthur Johnson, Kim D. Janda · 2021 · RSC Medicinal Chemistry
  50. Acetylation of the Catalytic Lysine Inhibits Kinase Activity in PI3Kδ
    Julie C. L. Fournier, John P. Evans, Francesca Zappacosta, Daniel A. Thomas, Vipulkumar K. Patel, Gemma V. White, Sébastien Campos, Nicholas C. O. Tomkinson · 2021 · ACS Chemical Biology
  51. Targeting the Ubiquitylation and ISGylation Machinery for the Treatment of COVID-19
    George Vere, Md Rashadul Alam, Sam Farrar, Rachel Kealy, Benedikt Mathias Kessler, Darragh Patrick O'Brien, Adán Pinto-Fernández · 2022 · Biomolecules
  52. The war on hTG2: warhead optimization in small molecule human tissue transglutaminase inhibitors
    Lavleen K. Mader, Sarah K. I. Watt, Harish Iyer, Linh Nhat Nguyen, Harpreet Kaur, Jeffrey W. Keillor · 2022 · RSC Medicinal Chemistry
  53. The right tools for the job: the central role for next generation chemical probes and chemistry-based target deconvolution methods in phenotypic drug discovery
    Manuela Jörg, Katrina S. Madden · 2021 · RSC Medicinal Chemistry
  54. Covalent Fragment Screening and Optimization Identifies the Chloroacetohydrazide Scaffold as Inhibitors for Ubiquitin C-terminal Hydrolase L1
    Ryan D. Imhoff, Rishi S. Patel, Muhammad Hassan Safdar, Hannah B. L. Jones, Adán Pinto-Fernández, Iolanda Vendrell, Hao Chen, Christine S. Muli, Aaron D. Krabill, Benedikt Mathias Kessler et al. · 2024 · Journal of Medicinal Chemistry
  55. Warheads for designing covalent inhibitors and chemical probes
    Péter Ábrányi‐Balogh, György Miklós Keserű · 2021 · Elsevier eBooks
  56. Optimization and Anti-Cancer Properties of Fluoromethylketones as Covalent Inhibitors for Ubiquitin C-Terminal Hydrolase L1
    Aaron D. Krabill, Hao Chen, Sajjad Hussain, Chad S. Hewitt, Ryan D. Imhoff, Christine S. Muli, Chittaranjan Das, Paul J. Galardy, Michael K. Wendt, Daniel Patrick Flaherty · 2021 · Molecules
  57. Forward Chemical Genetic Screen for Oxygen‐Dependent Cytotoxins Uncovers New Covalent Fragments that Target GPX4
    Marie B. Cordon, Kristian M. Jacobsen, Cecilie S. Nielsen, Per Hjerrild, Thomas Bjørnskov Poulsen · 2021 · ChemBioChem
  58. A chemoproteomic platform for selective deubiquitinase inhibitor discovery
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  59. Binding‐Site Purification of Actives (B‐SPA) Enables Efficient Large‐Scale Progression of Fragment Hits by Combining Multi‐Step Array Synthesis With HT Crystallography
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  60. Potent and selective SETDB1 covalent negative allosteric modulator reduces methyltransferase activity in cells
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  61. Toward routine utilisation of native mass spectrometry as an enabler of contemporary drug development
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  62. New Cysteine Covalent Modification Strategies Enable Advancement of Proteome‐wide Selectivity of Kinase Modulators
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  63. Maximizing the integration of virtual and experimental screening in hit discovery
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  64. α‐Lactam Electrophiles for Covalent Chemical Biology**
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  65. Covalent-reversible peptide-based protease inhibitors. Design, synthesis, and clinical success stories
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  66. Fragment-Based Discovery of Irreversible Covalent Inhibitors of Cysteine Proteases Using Chlorofluoroacetamide Library
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  67. Covalent fragment-based ligand screening approaches for identification of novel ubiquitin proteasome system modulators
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  68. Identification of covalent inhibitors of Staphylococcus aureus serine hydrolases important for virulence and biofilm formation
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  69. Tumour-specific STING agonist synthesis via a two-component prodrug system
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  70. Developments and challenges in hit progression within fragment-based drug discovery
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  71. Azapeptide activity-based probes for the SARS-CoV-2 main protease enable visualization of inhibition in infected cells
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  72. Reactive Docking: A Computational Method for High-Throughput Virtual Screenings of Reactive Species
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  73. Advanced technologies for screening and identifying covalent inhibitors
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  74. Exploring 2-Sulfonylpyrimidine Warheads as Acrylamide Surrogates for Targeted Covalent Inhibition: A BTK Story
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  75. Binding of SARS-CoV Covalent Non-Covalent Inhibitors to the SARS-CoV-2 Papain-Like Protease and Ovarian Tumor Domain Deubiquitinases
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  76. Covalent Ligand Electrophiles Are Differentially Activated by Proximity Effects Which Govern Latent Protein Reactivity
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  77. Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a precision-guided warhead scaffold
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  78. Diversity oriented clicking for modular synthesis
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  79. Best Practices for Design and Characterization of Covalent Chemical Probes
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  80. Mercapto-pyrimidines are reversible covalent inhibitors of the papain-like protease (PLpro) and inhibit SARS-CoV-2 (SCoV-2) replication
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  81. Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach
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  82. Contribution of Noncovalent Recognition and Reactivity to the Optimization of Covalent Inhibitors: A Case Study on KRasG12C
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  84. Emerging opportunities for intact and native protein analysis using chemical proteomics
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  85. Size-Dependent Target Engagement of Covalent Probes
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  86. Covalent fragment mapping of KRasG12C revealed novel chemotypes with in vivo potency
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  87. Solid Phase Synthesis of Fluorosulfate Containing Macrocycles for Chemoproteomic Workflows
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  88. A covalent inhibitor targeting the papain-like protease from SARS-CoV-2 inhibits viral replication
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  89. An electrophilic fragment screening for the development of small molecules targeting caspase-2
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  90. Cellular Validation of a Chemically Improved Inhibitor Identifies Monoubiquitination on OTUB2
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  91. Covalent drugs based on small molecules and peptides for disease theranostics
    Ying-Jin Zhang, Jian‐Xiao Liang, Yinsheng Xu, Yixuan Liu, Ying-Ying Cui, Zeng‐Ying Qiao, Hao Wang · 2023 · Biomaterials Science
  92. Covalent fragment libraries in drug discovery—Design, synthesis, and screening methods
    Brad J. W. Hocking, Alan Armstrong, David J. Mann · 2023 · Progress in medicinal chemistry
  93. Pervasive aggregation and depletion of host and viral proteins in response to cysteine-reactive electrophilic compounds
    Ashley R. Julio, Flowreen Shikwana, Cindy C. Truong, Nikolas R. Burton, Emil R. Dominguez, Alexandra C. Turmon, Jian Xin Cao, Keriann M. Backus · 2023 · bioRxiv (Cold Spring Harbor Laboratory)
  94. Antibiotic target discovery by integrated phenotypic and activity-based profiling of electrophilic fragments
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  95. COOKIE-Pro: covalent inhibitor binding kinetics profiling on the proteome scale
    Hanfeng Lin, Bin Yang, Lang Ding, Yen‐Yu Yang, Matthew Valle Holt, Sung Yun Jung, Bing Zhang, Meng Carla Wang, Jin Wang · 2025 · Nature Communications
  96. Activity‐Based Protein Profiling Identifies Protein Disulfide‐Isomerases as Target Proteins of the Volatile Salinilactones
    Karoline Jerye, Helko Lüken, Anika Steffen, Christian Schlawis, Lothar Jänsch, Stefan Schulz, Mark Brönstrup · 2024 · Advanced Science
  97. Covalent Fragment Screening Identifies Rgl2 RalGEF Cysteine for Targeted Covalent Inhibition of Ral GTPase Activation
    Khuchtumur Bum‐Erdene, Mona K. Ghozayel, David Daqiang Xu, Samy O. Meroueh · 2022 · ChemMedChem
  98. A Photoaffinity‐Based Fragment‐Screening Platform for Efficient Identification of Protein Ligands
    Emma K. Grant, David J. Fallon, Michael M. Hann, Ken G. M. Fantom, Chad J. Quinn, Francesca Zappacosta, Roland S. Annan, Chun‐wa Chung, Paul Bamborough, David P. Dixon et al. · 2020 · Angewandte Chemie
  99. Chemical proteomic identification of functional cysteines with atypical electrophile reactivities
    Kevin M. Litwin, Vincent M. Crowley, Radu M. Suciu, Dale L. Boger, Benjamin F. Cravatt · 2021 · Tetrahedron Letters
  100. Sulfopin, a selective covalent inhibitor of Pin1, blocks Myc-driven tumor initiation and growth in vivo
    Christian Dubiella, Benika J. Pinch, Daniel Zaidman, Theresa D. Manz, Evon Poon, Shuning He, Efrat Resnick, Ellen M. Langer, Colin J. Daniel, Hyuk‐Soo Seo et al. · 2020 · bioRxiv (Cold Spring Harbor Laboratory)