Rapid Covalent-Probe Discovery by Electrophile-Fragment Screening

Cited by (349)

Items 201–300 of 349

  1. Potent and Selective Covalent Inhibition of the Papain-like Protease from SARS-CoV-2
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  2. Strategy for cysteine-targeting covalent inhibitors screening using in-house database based LC-MS/MS and drug repurposing
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  3. Advances in Proximity-Assisted Bioconjugation
    Mary Canzano, Gonçalo J. L. Bernardes · 2025 · Accounts of Chemical Research
  4. Mechanism-based peroxiredoxin 3 inhibitors exploit a covalent warhead for cancer therapy
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  5. Isoform‐Selective Fluorescent Labeling of 14‐3‐3σ by Acrylamide‐Containing Fusicoccins
    Kenta K Tanaka, Yoshiya Hatano, Junko Ohkanda · 2023 · Chemistry - A European Journal
  6. Deliberately Losing Control of C−H Activation Processes in the Design of Small‐Molecule‐Fragment Arrays Targeting Peroxisomal Metabolism
    Raysa Khan Tareque, Storm Hassell‐Hart, Tobias J. Krojer, Anthony R Bradley, Srikannathasan Velupillai, Romain Talon, M. Fairhead, Iain J. Day, Kamlesh Bala, Robert L. Felix et al. · 2020 · ChemMedChem
  7. Fragment-Sized Thiazoles in Fragment-Based Drug Discovery Campaigns: Friend or Foe?
    Matic Proj, Martina Hrast, Damijan Knez, Krištof Bozovičar, Katarina Grabrijan, A. Meden, Stanislav Gobec, Rok Frlan · 2022 · ACS Medicinal Chemistry Letters
  8. Discovery of proteolysis-targeting chimera targeting undruggable proteins using a covalent ligand screening approach
    Hyeonjun Lee, Ju Yeon Lee, Hyunsoo Jang, Hye Young Cho, Minhee Kang, Sang Hyun Bae, Eunji Kim, Eunji Kim, Jaebong Jang, Jin Young Kim et al. · 2023 · European Journal of Medicinal Chemistry
  9. Rational Development and Characterization of a Ubiquitin Variant with Selectivity for Ubiquitin C-Terminal Hydrolase L3
    Chad S. Hewitt, Chittaranjan Das, Daniel Patrick Flaherty · 2022 · Biomolecules
  10. 3‐Chloro‐5‐Substituted‐1,2,4‐Thiadiazoles (TDZs) as Selective and Efficient Protein Thiol Modifiers
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  11. Identification of Atovaquone and Mebendazole as Repurposed Drugs with Antiviral Activity against SARS-CoV-2 (Version 5)
    Mahmoud Ahmed, Ayman Farag, Ping Wang, Ian N. Boys, Jennifer L. Eitson, Maikke B. Ohlson, Wenchun Fan, Matthew B. McDougal, John W. Schoggins, Hesham A. Sadek · 2021 · ChemRxiv
  12. Discovery of a cell-active chikungunya virus nsP2 protease inhibitor using a covalent fragment-based screening approach
    Eric M. Merten, John D. Sears, Tina M. Leisner, P. Brian Hardy, Anirban Ghoshal, Mohammad Anwar Hossain, Kesatebrhan Haile Asressu, Peter J. Brown, Michael A. Stashko, Laura E. Herring et al. · 2024 · bioRxiv (Cold Spring Harbor Laboratory)
  13. A practical method for determining the rate of covalent modification of fragments and leads
    Janice Jeon, Svetlana A. Kholodar, Brian H. Tran, Kimberly E. Mallinger, Daniel A. Erlanson, Robert A. Everley · 2025 · Nature Communications
  14. Exploring protein-protein interactions for the development of new analgesics
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  15. The Emerging Role of OTUB2 in Diseases: From Cell Signaling Pathway to Physiological Function
    Jun Li, Na Zhang, Meihua Li, Tao Hong, Wei Meng, Taohui Ouyang · 2022 · Frontiers in Cell and Developmental Biology
  16. Measurement and utilization of the proteomic reactivity by mass spectrometry
    Clodette Punzalan, Lei Wang, Bekim Bajrami, Xudong Yao · 2023 · Mass Spectrometry Reviews
  17. Rational Design of Highly Potent and Selective Covalent MAP2K7 Inhibitors
    Dalton R. Kim, Meghan J. Orr, Ada J. Kwong, Kristine K. Deibler, Hasan H. Munshi, Cory Seth Bridges, Taylor Jie Chen, Xiaoyu Zhang, H. Daniel Lacorazza, Karl A. Scheidt · 2023 · ACS Medicinal Chemistry Letters
  18. Cysteine-enabled cleavability to advance cross-linking mass spectrometry for global analysis of endogenous protein-protein interactions
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  19. Construction of a clickable probe‐based protein chip platform for discovering covalent mIDH1 inhibitors from natural medicinal extracts
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  20. Normalizing Covalent Potency for Electrophilicity with Ligand Reactivity Efficiency
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  21. A targeted and core-shell structured gambogic acid nanomedicine for ameliorating breast cancer-associated osteolysis
    Chenglin Zhang, Fang Zhu, Yiyun Cheng, Zhenliang Sun, Yiwen Li, Dianwen Song · 2024 · Nano Today
  22. Synthesis and biochemical evaluation of new 3-amido-4-substituted monocyclic ß-lactams as inhibitors of penicillin-binding protein(s)
    Katarina Grabrijan, Nika Strašek Benedik, Alen Krajnc, Krištof Bozovičar, Damijan Knez, Matic Proj, Irena Zdovc, Izidor Sosič, Carlos Contreras‐Martel, Andréa Dessen et al. · 2024 · Acta Pharmaceutica
  23. Scalable Thiol Reactivity Profiling Identifies Azetidinyl Oxadiazoles as Cysteine-Targeting Electrophiles
    Fereshte Ghorbani, Shaochen You, Gennadii A. Grabovyi, Mannkyu Hong, Garrett L. Lindsey, Arnab K. Chatterjee, Michael J. Bollong · 2024 · Journal of the American Chemical Society
  24. Mapping the Chemical Space of Active‐Site Targeted Covalent Ligands for Protein Tyrosine Phosphatases**
    Suk ho Hong, Sarah Y. Xi, Andrew C. Johns, Lauren C. Tang, Allyson Li, Madeleine N. Hum, Cassandra A. Chartier, Marko Jovanović, Neel H. Shah · 2023 · ChemBioChem
  25. The Activation and Selectivity of the Legionella RavD Deubiquitinase
    Eric Schulze, Michael Naumann, Matthias Stein · 2021 · Frontiers in Molecular Biosciences
  26. Identification of Novel Covalent XPO1 Inhibitors Based on a Hybrid Virtual Screening Strategy
    Zheyuan Shen, Weihao Zhuang, Kang Li, Yu Lian Guo, Bingxue Qu, Sikang Chen, Jian Gao, Jing Liu, Lei Xu, Xiaowu Dong et al. · 2022 · Molecules
  27. Copper-Catalyzed Claisen Rearrangement with AIBN and Allylic Alcohols
    Xuyang Yan, Bangkui Yu, Haocheng Zhang, Hanmin Huang · 2022 · The Journal of Organic Chemistry
  28. Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals
    Ryan M. Lithgo, Charles W.E. Tomlinson, M. Fairhead, Max Winokan, Warren Athol Thompson, Conor Francis Wild, Jasmin Cara Aschenbrenner, Blake H. Balcomb, Peter George Marples, Anu V. Chandran et al. · 2024 · bioRxiv (Cold Spring Harbor Laboratory)
  29. BromoCatch: a self-labelling tag platform for protein analysis and live cell imaging
    Maria Rodriguez-Rios, Conner Craigon, Mark A. Nakasone, Adam G. Bond, Mark Dorward, Anthony K. Edmonds, Mark C. Norley, Robert E. Arnold, Paul M. Wood, Steven Reynolds et al. · 2025 · bioRxiv (Cold Spring Harbor Laboratory)
  30. Computational Design of Lysine Targeting Covalent Binders Using Rosetta
    Barr Tivon, Jan Wiese, Matthias Philipp Müller, Ronen Gabizon, Daniel Rauh, Nir London · 2025 · Journal of Chemical Information and Modeling
  31. Different applications and differentiated libraries for crystallographic fragment screening
    Jessica E. Watt, Mathew P. Martin, Jane Endicott, Martin E. M. Noble · 2025 · Current Opinion in Structural Biology
  32. Covalent fragment screening
    Amit Shraga, Efrat Resnick, Ronen Gabizon, Nir London · 2021 · Annual reports in medicinal chemistry
  33. Precision Targeting of Endogenous Epidermal Growth Factor Receptor (EGFR) by Structurally Aligned Dual-Modifier Labeling
    Ivan de Jesus Salazar-Estrada, Karthik Shantharam Kamath, Fei Liu · 2022 · ACS Pharmacology & Translational Science
  34. In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors
    Jingxu Guo, A. Douangamath, Weixiao Song, Alun R. Coker, A. W. Edith Chan, Steve Wood, J.B. Cooper, Efrat Resnick, Nir London, F. von Delft · 2020 · Journal of Structural Biology X
  35. Discovery of a First‐in‐Class Covalent Allosteric SHP1 Inhibitor with Immunotherapeutic Activity
    Zihan Qu, Frederick Nguele Meke, Zheng Zhang, Aaron D. Krabill, Christine S. Muli, Brenson A. Jassim, Jiajun Dong, Quyen D. Nguyen, Yunpeng Bai, Jinyue Li et al. · 2025 · Angewandte Chemie International Edition
  36. Targeting protein–protein interactions with reversible covalent modalities: Non‐cysteine chemistries
    Ruchira Basu, Steven Fletcher · 2026 · British Journal of Pharmacology
  37. Covalent lysine targeting is coming of age
    Ella Livnah, Nir London · 2026 · Current Opinion in Chemical Biology
  38. Discovery of Trypanosoma brucei inhibitors enabled by a unified synthesis of diverse sulfonyl fluorides
    Brian S. Mantilla, Jack S. White, William R. T. Mosedale, Andrew Gomm, Adam S. Nelson, Terry Smith, Megan H. Wright · 2024 · Communications Chemistry
  39. Expedited SARS‐CoV‐2 Main Protease Inhibitor Discovery through Modular ‘Direct‐to‐Biology’ Screening
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  40. Total syntheses of cyclohelminthol I–IV reveal a new cysteine-selective covalent reactive group
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  41. Discovery of α-Amidobenzylboronates as Highly Potent Covalent Inhibitors of Plasma Kallikrein
    Matthew Allison, Rebecca L. Davie, Adrian J. Mogg, Sally L. Hampton, Jonas Emsley, Michael J. Stocks · 2024 · ACS Medicinal Chemistry Letters
  42. Discovery of a Series of Covalent Ligands That Bind to Cys77 of the Von Hippel–Lindau Tumor Suppressor Protein (VHL)
    Simon C. C. Lucas, Yong Xu, Sarah H. Hewitt, Gavin W. Collie, Lucia Fusani, Ganesh Kadamur, Thomas E. Hadfield, Nancy Su, C. Truman, Sylvain Demanze et al. · 2025 · ACS Medicinal Chemistry Letters
  43. Electrophilic fragment screening using native mass spectrometry to identify covalent probes for surface cysteines
    Jack W. Klose, Yezhou Yu, Giovanna Di Trapani, Kathryn Fay Tonissen, Louise M. Sternicki, Sally‐Ann Poulsen · 2025 · Australian Journal of Chemistry
  44. The covalent reactivity of functionalized 5-hydroxy-butyrolactams is the basis for targeting of fatty acid binding protein 5 (FABP5) by the neurotrophic agent MT-21
    Esben B. Svenningsen, Rasmus N. Ottosen, Katrine Bruun Jørgensen, Marija Nišavić, Camilla K. Larsen, Bente K. Hansen, Yong Wang, Kresten Lindorff‐Larsen, Thomas Tørring, Stephan M. Hacker et al. · 2022 · RSC Chemical Biology
  45. Pairs of thiol-substituted 1,2,4-triazole-based isomeric covalent inhibitors with tunable reactivity and selectivity
    Shiqi Xu, Zi Ye, Shuang Shang, Fengge Wang, Huan Zhang, Lianguo Chen, Hao Lin, Chen Chen, Fang Hua, Chong‐Jing Zhang · 2023 · Chinese Chemical Letters
  46. Efficient large-scale exploration of fragment hit progression by exploiting binding-site purification of actives (B-SPA) through combining multi-step array synthesis and HT crystallography.
    Harold Grosjean, A. Aimon, Storm Hassell‐Hart, Warren Athol Thompson, L. Koekemoer, James M. Bennett, Cameron Anderson, Conor Francis Wild, William J. Bradshaw, Edward A. Fitzgerald et al. · 2024 · ChemRxiv
  47. Functional evaluation of an electrophilic focused library to identify a covalent inhibitor against intrinsically disordered circadian clock transcription factors
    Kazuya Yamanaka, Yoshihisa Inoue, Miki Imanishi, Junko Ohkanda · 2023 · Bioorganic & Medicinal Chemistry Letters
  48. Dichlorotriazine-based multivalent probe for selective affinity labeling of carbohydrate-binding proteins
    Ayaka Tsuruno, Shione Kamoshita, Shoichi Hosoya, Kaori Sakurai · 2024 · Organic & Biomolecular Chemistry
  49. Identification of acrylamide-based covalent inhibitors of SARS-CoV-2 (SCoV-2) Nsp15 using high-throughput screening and machine learning
    Teena Bajaj, Babak Mosavati, Lydia H. Zhang, Mohammad S. Parsa, Huanchen Wang, Evan M. Kerek, Xueying Liang, Seyed Amirhossein Tabatabaei Dakhili, Eddie Wehri, Silin Guo et al. · 2025 · RSC Advances
  50. Phosphorus fluoride exchange chemistry: An emerging strategy for covalent drug discovery
    Shangshen Yang, Yongkuan Li, Lingyun Yang, Bingchen Yu · 2025 · Tetrahedron Chem
  51. Systematic cysteine scanning identifies a druggable pocket in oncogenic KRAS
    Laurens M. van Tienen, Shadwa Bayoumi, Khaja Muneeruddin, Nancy Leymarie, Alexandra Popa, Mrinal Shekhar, Madeline A. Mueller, Ruitong Li, Krzysztof M. Żak, Harsha Chilukuri et al. · 2026 · Cell chemical biology
  52. High-throughput discovery and characterisation of pentafluorobenzene sulfonamide modifiers of Aurora A kinase
    Julian Chesti, Jennifer A. Miles, Lawrence J. Collins, Hamish A. McCallum, Martina Foglizzo, Mohd Syed Ahangar, Elton Zeqiraj, Richard W. Bayliss, Stuart L. Warriner, Megan H. Wright et al. · 2026 · RSC Chemical Biology
  53. Context-dependent synthetic lethality — an emerging precision therapeutic approach
    Liang Chang, Katharin L. Shaw, Francisca Vázquez, William R. Sellers · 2026 · Nature reviews. Cancer
  54. Thermodynamic characterisation of covalent ligand binding
    Rebecca Hertzman, Maayan Lavie, Almog Nadir, Ronen Gabizon, Nir London · 2026 · British Journal of Pharmacology
  55. Protein State‐Dependent Chemical Biology
    Kevin A. Scott, Tiffany L. Zhang, Sarah Y. Xi, Bryan Ngo, Ekaterina V. Vinogradova · 2023 · Israel Journal of Chemistry
  56. High-Throughput Discovery and Characterization of Covalent Inhibitors for Protein Tyrosine Phosphatases
    Zihan Qu, Aaron D. Krabill, Zhong‐Yin Zhang · 2023 · Methods in molecular biology
  57. Atualizações dos estudos atuais sobre medicamentos para combater a COVID-19.
    Éber Coelho Paraguassu, Anneli Mercedes Célis de Cárdenas · 2020 · Brazilian Journal of Implantology and Health Sciences
  58. New Chemical Biology Tools for the Histamine Receptor Family
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  59. ICBS 2021: Looking Toward the Next Decade of Chemical Biology
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  60. Insights and Future Perspectives of Covalent Protein Degraders
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  61. sCIP-ing towards streamlined chemoproteomics
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  62. Cu(II)-Assisted Novel Covalent Warheads for Proteome-wide Cysteine Profiling
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  63. The future of covalent inhibition
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  64. Covalent Inhibitors of S100A4 Block the Formation of a Pro-Metastasis Non-Muscle Myosin 2A Complex
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  65. Open-source electrophilic fragment screening platform to identify chemical starting points for UCHL1 covalent inhibitors
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  66. Structural Biology for Target Identification and Validation
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  67. Rhodium-catalysed connective synthesis of diverse reactive probes bearing S(VI) electrophilic warheads
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  68. Click chemistry for natural product-inspired covalent drug discovery
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  69. Expanding the landscape of covalent drug discovery: irreversible targeting of non‐cysteine residues
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  70. Discovery of a First‐in‐Class Covalent Allosteric SHP1 Inhibitor with Immunotherapeutic Activity
    Zihan Qu, Frederick Nguele Meke, Zheng Zhang, Aaron D. Krabill, Christine S. Muli, Brenson A. Jassim, Jiajun Dong, Quyen D. Nguyen, Yunpeng Bai, Jinyue Li et al. · 2025 · Angewandte Chemie
  71. GalaxyCDock: Webserver for Covalent Protein–Ligand Binding Mode Prediction
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  72. A Synergistic Inhibitor Development Strategy Against Human UDP‐Galactose‐4‐Epimerase
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  73. Mapping the SHP2 Allosteric Pocket With Target‐Biased Covalent Fragments
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  74. Characterization of the Second-Generation Covalent Fragment Library (CovLib Gen2): Thiol Reactivity Profiling and p53-Y220C Rescue
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  75. Fragment‐Based Design of Targeted Covalent Inhibitors: The Scope and Limitation of Linking Approaches
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  76. Discovery of Stereoselective Targeted Covalent Inhibitors of the RAB27-Effector Protein–Protein Interaction
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  77. Covalent Stabilizers of the Interaction Between 14-3-3σ and Estrogen Receptor-α
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  78. Quantitative Irreversible Tethering (qIT) for Target-directed Covalent Fragment Screening
    Gregory B. Craven, David J. Mann, Alan Armstrong · 2020 · BIO-PROTOCOL
  79. Targeting Nonconserved and Pathogenic Cysteines of Protein Tyrosine Phosphatases with Small Molecules
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  80. Lead Generation
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  81. Hydrolases (version 2019.5) in the IUPHAR/BPS Guide to Pharmacology Database
    S P H Alexander, Patrick Doherty, David P. Fairlie, Christopher John Fowler, Christopher M. Overall, Neil David Rawlings, Christopher Southan, Anthony J. Turner · 2019 · IUPHAR/BPS Guide to Pharmacology CITE
  82. Synthesis in Medicinal Chemistry
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  83. PhotoAffinity Bits: A Photoaffinity-Based Fragment Screening Platform for Efficient Identification of Protein Ligands
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  84. Phenotypic screening of covalent compound libraries identifies chloromethyl ketone antibiotics and MiaA as a new target
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  85. DNA-encoded Libraries with Covalent Warheads
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  86. Modeling Covalent Protein-Ligand Interactions
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  87. Screening for inhibitors of main protease in SARS-CoV-2: in silico and in vitro approach avoiding secondary amides
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  88. Chemoproteomic Profiling by Cysteine Fluoroalkylation Reveals the DNA Repair Protein XRCC5 as a Functional Target of Myrocin G
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  89. Utility of chemical probes for mass spectrometry based chemical proteomics
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  90. X-ray crystallographic fragment screening against the human prion protein
    Victor Lopes Rangel · 2021 · Digital Library of Theses and Dissertations (Universidade de São Paulo)
  91. Stabilized Peptide Covalent Inhibitors
    Zigang Li, Hui Zhao, Chuan Wan · 2021 · Wiley eBooks
  92. Screening for inhibitors of main protease in SARS-CoV-2: in silico and in vitro approach avoiding secondary amides
    Kazuki Z. Yamamoto, Nobuaki Yasuo, Masakazu Sekijima · 2021
  93. A stable α-lactam reagent for bioconjugation and proteomic profiling
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  94. Identification of Covalent Ligands – from Single Targets to Whole Proteome
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  95. A chemoproteomic platform for reactive fragment profiling against the deubiquitinases
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  96. Enhancing multiplexed cysteine chemoproteomics by uniting FragPipe with solid-phase compatible dialkoxydiphenylsilane reagents
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  97. α‐Lactam Electrophiles for Covalent Chemical Biology**
    Alejandro Mahía, Anders E. Kiib, Marija Nišavić, Esben B. Svenningsen, Johan Palmfeldt, Thomas Bjørnskov Poulsen · 2023 · Angewandte Chemie
  98. Pairs of Triazole-Based Isomeric Covalent Inhibitors with Tunable Reactivity and Selectivity
    Chong‐Jing Zhang, Shiqi Xu, Zi Ye, Shuang Shang, Fengge Wang, Huan Zhang, Lian-guo Chen, Hao Lin, Chen Chen, Fang Hua · 2023 · SSRN Electronic Journal
  99. Hydrolases in GtoPdb v.2023.1
    S P H Alexander, Patrick Doherty, David P. Fairlie, Christopher John Fowler, Christopher M. Overall, Neil David Rawlings, Christopher Southan, Anthony J. Turner · 2023 · IUPHAR/BPS Guide to Pharmacology CITE
  100. Chemistry of Covalent Drugs: Chemical Reactions with Endogenous Proteins in Live Cells
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