Strategies for Discovering and Derisking Covalent, Irreversible Enzyme Inhibitors

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Items 101–200 of 425

1. Discovery of Potent and Specific Dihydroisoxazole Inhibitors of Human Transglutaminase 2
   Cornelius Klöck, Zachary Herrera, Megan A. Albertelli, Chaitan Khosla · 2014 · Journal of Medicinal Chemistry
2. Design and synthesis of substituted dihydropyrimidinone derivatives as cytotoxic and tubulin polymerization inhibitors
   Sravani Sana, Ramya Tokala, Deepti Madanlal Bajaj, Narayana Nagesh, Kiran Kumar Bokara, Gaddam Kiranmai, Uppu Jaya Lakshmi, Swapna Vadlamani, Venu Talla, Nagula Shankaraiah · 2019 · Bioorganic Chemistry
3. Approaches to mitigate the risk of serious adverse reactions in covalent drug design
   Thomas A. Baillie · 2020 · Expert Opinion on Drug Discovery
4. Chemoproteomics‐Enabled Discovery of a Potent and Selective Inhibitor of the DNA Repair Protein MGMT
   Chao Wang, Daniel Abegg, Dominic G. Hoch, Alexander Adibekian · 2016 · Angewandte Chemie International Edition
5. Discovery of Covalent Ligands via Noncovalent Docking by Dissecting Covalent Docking Based on a “Steric-Clashes Alleviating Receptor (SCAR)” Strategy
   Yuan-Bao Ai, Ling-Ling Yu, Xiao Tan, Xiaoying Chai, Sen Liu · 2016 · Journal of Chemical Information and Modeling
6. Novel indanone derivatives as MAO B/H3R dual-targeting ligands for treatment of Parkinson’s disease
   Anna Affini, Stefanie Hagenow, Aleksandra Živković, Jose Luis Marco, Holger Stark · 2018 · European Journal of Medicinal Chemistry
7. Biospecific Chemistry for Covalent Linking of Biomacromolecules
   Li Cao, Lei Wang · 2024 · Chemical Reviews
8. Recent advances on the intervention sites targeting USP7-MDM2-p53 in cancer therapy
   Chrisanta Harakandi, Lauraine Nininahazwe, Haiwei Xu, Bingrui Liu, Chenghua He, Yi‐Chao Zheng, Hang Zhang · 2021 · Bioorganic Chemistry
9. Target Engagement Assays in Early Drug Discovery
   Sahra St John‐Campbell, Gurdip Bhalay · 2025 · Journal of Medicinal Chemistry
10. Discovery and Development of the Oral Complement Factor D Inhibitor Danicopan (ACH-4471)
    Jason A. Wiles, Manuel D Galvan, Steven D. Podos, Michael Geffner, Mingjun Huang · 2019 · Current Medicinal Chemistry
11. Citrullination and PAD Enzyme Biology in Type 1 Diabetes – Regulators of Inflammation, Autoimmunity, and Pathology
    Meiling Yang, Fernanda Marques Câmara Sodré, Mark J. Mamula, Lut Overbergh · 2021 · Frontiers in Immunology
12. Multicomponent reaction–derived covalent inhibitor space
    Fandi Sutanto, Shabnam Shaabani, Constantinos G. Neochoritis, Tryfon Zarganes‐Tzitzikas, Pravin Patil, Ehsan Ghonchepour, Alexander S. S. Dömling · 2021 · Science Advances
13. An Activity-Based Oxaziridine Platform for Identifying and Developing Covalent Ligands for Functional Allosteric Methionine Sites: Redox-Dependent Inhibition of Cyclin-Dependent Kinase 4
    Angel Gonzalez-Valero, Audrey G. Reeves, Annika C. S. Page, Patrick J. Moon, Edward Miller, Katia Coulonval, Steven W. M. Crossley, Xiao Xie, Dan He, Patricia Zhang Musacchio et al. · 2022 · Journal of the American Chemical Society
14. Cathepsins in the Pathophysiology of Mucopolysaccharidoses: New Perspectives for Therapy
    Valeria De Pasquale, Anna Moles, Luigi Michele Pavone · 2020 · Cells
15. BMX and Its Role in Inflammation, Cardiovascular Disease, and Cancer
    Bruno Cenni, Sascha Gutmann, Marie Gottar · 2012 · International Reviews of Immunology
16. New drug design with covalent modifiers
    Adebayo A. Adeniyi, Muthusamy Ramesh, Mahmoud E. S. Soliman · 2016 · Expert Opinion on Drug Discovery
17. Opening or Closing the Lock? When Reactivity Is the Key to Biological Activity
    Nafisah Al‐Rifai, Hannelore Rücker, Sabine Amslinger · 2013 · Chemistry - A European Journal
18. Metabolically Labile Fumarate Esters Impart Kinetic Selectivity to Irreversible Inhibitors
    Balyn W. Zaro, Landon R. Whitby, Kenneth M. Lum, Benjamin F. Cravatt · 2016 · Journal of the American Chemical Society
19. Chemical Approaches to Intervening in Ubiquitin Specific Protease 7 (USP7) Function for Oncology and Immune Oncology Therapies
    Jian Wu, Suresh Kumar, Feng Wang, Hui Wang, Lijia Chen, Patrick Arsenault, Michael R. Mattern, Joseph Weinstock · 2017 · Journal of Medicinal Chemistry
20. Affinity and Selectivity Assessment of Covalent Inhibitors by Free Energy Calculations
    Levente M. Mihalovits, György G. Ferenczy, György Miklós Keserű · 2020 · Journal of Chemical Information and Modeling
21. Reversible versus Irreversible Inhibition Modes of ERK2: A Comparative Analysis for ERK2 Protein Kinase in Cancer Therapy
    Shama Khan, Imane Bjij, Robin M. Betz, Mahmoud E. S. Soliman · 2018 · Future Medicinal Chemistry
22. 1,2,4-Triazole derivatives as transient inactivators of kallikreins involved in skin diseases
    Xiao Tan, Laetitia Furio, Michèle Reboud‐Ravaux, Bruno O. Villoutreix, Alain Hovnanian, Chahrazade El Amri · 2013 · Bioorganic & Medicinal Chemistry Letters
23. Covalent binders in drug discovery
    Anil Vasudevan, M.A. Argiriadi, Aleksandra Baranczak, Michael Friedman, Julia I. Gavrilyuk, Adrian D. Hobson, Jonathan J. Hulce, Sami Osman, Noel S. Wilson · 2019 · Progress in medicinal chemistry
24. A Fast Ab Initio Predictor Tool for Covalent Reactivity Estimation of Acrylamides
    Ferruccio Palazzesi, Marc A. Grundl, Alexander Pautsch, Alexander Weber, Christofer S. Tautermann · 2019 · Journal of Chemical Information and Modeling
25. Mapping enzyme activity in living systems by real-time mid-infrared photothermal imaging of nitrile chameleons
    Hongjian He, Jiaze Yin, Mingsheng Li, Chinmayee Vallabh Prabhu Dessai, Meihui Yi, Xinyan Teng, Meng Zhang, Yueming Li, Zhiyi Du, Bing Xu et al. · 2024 · Nature Methods
26. Zielgerichtete kovalente Inhibitoren für das Wirkstoffdesign
    Thomas A. Baillie · 2016 · Angewandte Chemie
27. Metabolism and disposition of pyrotinib in healthy male volunteers: covalent binding with human plasma protein
    Meng, Jian, Liu, Xiao-yun, Ma, Sheng, Zhang, Hua, Yu, Song-da, Zhang, Yi-fan, Chen, Mei-xia, Zhu, Xiao-yu, Liu, Yi, Yi, Ling et al. · 2019 · Acta Pharmacologica Sinica
28. Effective Virtual Screening Strategy toward Covalent Ligands: Identification of Novel NEDD8-Activating Enzyme Inhibitors
    Shengping Zhang, Jiani Tan, Zhonghui Lai, Ying Li, Junxia Pang, Jianhu Xiao, Zhangjian Huang, Yihua Zhang, Hui Ji, Yisheng Lai · 2014 · Journal of Chemical Information and Modeling
29. Applications of Reactive Cysteine Profiling
    Keriann M. Backus · 2018 · Current topics in microbiology and immunology
30. Applications of Activity‐Based Protein Profiling (ABPP) and Bioimaging in Drug Discovery
    Jiaqian Xu, Xiaoqian Li, Ke Ding, Zhengqiu Li · 2019 · Chemistry - An Asian Journal
31. Targeted Covalent Enzyme Inhibitors
    Mark C. Noe, Adam M. Gilbert · 2012 · Annual reports in medicinal chemistry
32. Covalent binding design strategy: A prospective method for discovery of potent targeted anticancer agents
    Luhong Wang, Jingyuan Zhao, Yao Yao, Changyuan Wang, Jianbin Zhang, Xiaohong H. Shu, Xiuli Sun, Yanxia Li, Kexin Liu, Hong Yuan et al. · 2017 · European Journal of Medicinal Chemistry
33. Preclinical Characterization of 3β-(N-Acetyl l -cysteine methyl ester)-2aβ,3-dihydrogaliellalactone (GPA512), a Prodrug of a Direct STAT3 Inhibitor for the Treatment of Prostate Cancer
    Zilma Escobar, Anders S Bjartell, Giacomo Canesin, Susan Evans Axelsson, Olov Sterner, Rebecka Hellsten, Martin Hans Johansson · 2016 · Journal of Medicinal Chemistry
34. Library Design Strategies To Accelerate Fragment‐Based Drug Discovery
    Nikolaj S. Troelsen, Mads H. Clausen · 2020 · Chemistry - A European Journal
35. Reactive chemistry for covalent probe and therapeutic development
    R. Justin Grams, Ku‐Lung Hsu · 2022 · Trends in Pharmacological Sciences
36. Genetically encoding latent bioreactive amino acids and the development of covalent protein drugs
    Nanxi Wang, Lei Wang · 2021 · Current Opinion in Chemical Biology
37. Naphthoquinones as Covalent Reversible Inhibitors of Cysteine Proteases—Studies on Inhibition Mechanism and Kinetics
    Philipp Klein, Fabian Barthels, Patrick Johé, Annika Wagner, Stefan Tenzer, Ute Distler, Thien Anh Le, Paul Schmid, Volker Engel, Bernd Engels et al. · 2020 · Molecules
38. Stilbene Boronic Acids Form a Covalent Bond with Human Transthyretin and Inhibit Its Aggregation
    Thomas P. Smith, Ian W. Windsor, Katrina T. Forest, Ronald T. Raines · 2017 · Journal of Medicinal Chemistry
39. Derivatization or Not: A Choice in Quantitative Proteomics
    Xudong Yao · 2011 · Analytical Chemistry
40. Differential Kinobeads Profiling for Target Identification of Irreversible Kinase Inhibitors
    Lars Dittus, Thilo Werner, Marcel Muelbaier, Marcus Bantscheff · 2017 · ACS Chemical Biology
41. Arylfluorsulfat‐basierte Elektrophile für die kovalente Proteinmarkierung
    Pablo Martín‐Gago, Christian Adam Olsen · 2018 · Angewandte Chemie
42. High-Throughput Screening for Linear Ubiquitin Chain Assembly Complex (LUBAC) Selective Inhibitors Using Homogenous Time-Resolved Fluorescence (HTRF)-Based Assay System
    Ken Katsuya, Yuji Hori, Daisuke Oikawa, Tomohisa Yamamoto, Kayo Umetani, Toshiki Urashima, Tomomi Kinoshita, Kumiko Ayukawa, Fuminori Tokunaga, Masahiro Tamaru · 2018 · SLAS DISCOVERY
43. Characterization of covalent binding of tyrosine kinase inhibitors to plasma proteins
    Liu, Xiaoyun, Feng, Dan, Zheng, Mingyue, Cui, Yongmei, Zhong, Dafang · 2020 · Drug Metabolism and Pharmacokinetics
44. Recent Advances in the Development and Application of Radiolabeled Kinase Inhibitors for PET Imaging
    Vadim Bernard‐Gauthier, Justin J. Bailey, Sheldon Berke, Ralf Schirrmacher · 2015 · Molecules
45. Identification of the Histidine Residue in Vitamin D Receptor That Covalently Binds to Electrophilic Ligands
    Mami Yoshizawa, Toshimasa Itoh, Tatsuya Hori, Akira Kato, Yasuaki Anami, Nobuko Yoshimoto, Keiko Yamamoto · 2018 · Journal of Medicinal Chemistry
46. Cysteine focused covalent inhibitors against the main protease of SARS-CoV-2
    Archi Sundar Paul, Rajib Islam, Md. Rimon Parves, Abdulla Al Mamun, Imrul Shahriar, Md. Imran Hossain, Md Nayeem Hossain, Muhammad Ali, Mohammad A. Halim · 2020 · Journal of Biomolecular Structure and Dynamics
47. Monoacylglycerol Lipase Inhibition in Human and Rodent Systems Supports Clinical Evaluation of Endocannabinoid Modulators
    Jason R. Clapper, Cassandra L. Henry, Micah J. Niphakis, Anna Knize, Aundrea R. Coppola, Gabriel M. Simon, Nhi Ngo, Rachel A. Herbst-Graham, Dylan M. Herbst, Alex Reed et al. · 2018 · Journal of Pharmacology and Experimental Therapeutics
48. A Liquid Chromatography/Mass Spectrometry Method for Screening Disulfide Tethering Fragments
    Kenneth K. Hallenbeck, Julia L. Davies, Connie Merron, Pierce Ogden, Eline Sijbesma, Christian Ottmann, Adam R. Renslo, Christopher Wilson, Michelle R. Arkin · 2017 · SLAS DISCOVERY
49. Covalent allosteric modulation: An emerging strategy for GPCRs drug discovery
    Yuemin Bian, Jaden Jungho Jun, Jacob Cuyler, Xiang‐Qun Xie · 2020 · European Journal of Medicinal Chemistry
50. Enzymes inhibition profiles and antibacterial activities of benzylidenemalononitrile derivatives
    Pınar Güller, Ziya Dağalan, Uğur Güller, Ulaş Çalışır, Bilal Nişancı · 2021 · Journal of Molecular Structure
51. Tunable heteroaromatic azoline thioethers (HATs) for cysteine profiling
    Kuei C. Tang, Sean M. Maddox, Keriann M. Backus, Monika Raj · 2021 · Chemical Science
52. Recent advances of small molecule JNK3 inhibitors for Alzheimer’s disease
    Pengxia Qin, Yingying Ran, Yujing Liu, Chao Wei, Xiaoyi Luan, Haoqian Niu, Jie Peng, Jie Sun, Jingde Wu · 2022 · Bioorganic Chemistry
53. Specificity of Protein Covalent Modification by the Electrophilic Proteasome Inhibitor Carfilzomib in Human Cells
    Joel D. Federspiel, Simona G. Codreanu, Sandeep Goyal, Matthew E. Albertolle, Eric Lowe, Juli Teague, Hansen L. Wong, Frederick Peter Guengerich, Daniel C. Liebler · 2016 · Molecular & Cellular Proteomics
54. Pharmacologic Characterization of JNJ-42226314, [1-(4-Fluorophenyl)indol-5-yl]-[3-[4-(thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone, a Reversible, Selective, and Potent Monoacylglycerol Lipase Inhibitor
    Ryan M. Wyatt, Ian C. Fraser, Natalie Welty, Brian Lord, Michelle L. Wennerholm, Steven W. Sutton, Michael K. Ameriks, Christine Dugovic, Sujin Yun, Allison White et al. · 2019 · Journal of Pharmacology and Experimental Therapeutics
55. Trends in small organic fluorescent scaffolds for detection of oxidoreductase
    Jagpreet Singh Sidhu, Navneet Kaur, Narinder Singh · 2021 · Biosensors and Bioelectronics
56. 5-Arylidene(chromenyl-methylene)-thiazolidinediones: Potential New Agents against Mutant Oncoproteins K-Ras, N-Ras and B-Raf in Colorectal Cancer and Melanoma
    Cristina Nastasă, Radu Tamaian, Ovidiu Oniga, Brînduşa Tiperciuc · 2019 · Medicina
57. The In Vitro and In Silico Inhibition Mechanism of Glutathione Reductase by Resorcinol Derivatives: A Molecular Docking Study
    Pınar Güller · 2020 · Journal of Molecular Structure
58. SARS-CoV-2 Papain-Like Protease Potential Inhibitors—In Silico Quantitative Assessment
    Adam Stasiulewicz, Alicja W. Maksymiuk, Mai Lan Nguyen, Barbara Bełza, Joanna Ida Sulkowska · 2021 · International Journal of Molecular Sciences
59. Progress toward B-Cell Lymphoma 6 BTB Domain Inhibitors for the Treatment of Diffuse Large B-Cell Lymphoma and Beyond
    Yong Ai, Lucia Hwang, Alexander D. MacKerell, Ari M. Melnick, Fengtian Xue · 2021 · Journal of Medicinal Chemistry
60. Targeted Covalent Inhibition of Telomerase
    Rick C. Betori, Yue Liu, Ding Wu, Rama Mishra, Scott Cohen, Stephen J. Kron, Karl A. Scheidt · 2020 · ACS Chemical Biology
61. Reactive Electrophiles and Metabolic Activation
    Ronald Scott Obach, Amit S.S. Kalgutkar · 2010 · Elsevier eBooks
62. Activatable imaging probes for cancer-linked NAD(P)H:quinone oxidoreductase-1 (NQO1): Advances and future prospects
    Dongdong Su, Xueqian Chen, Yong Zhang, Xueyun Gao · 2020 · TrAC Trends in Analytical Chemistry
63. Inhibition of thrombin activity by a covalent-binding aptamer and reversal by the complementary strand antidote
    Yudai Tabuchi, Jay Yang, Masumi Taki · 2021 · Chemical Communications
64. Rational Design of Resorcylic Acid Lactone Analogues as Covalent MNK1/2 Kinase Inhibitors by Tuning the Reactivity of an Enamide Michael Acceptor
    Jin Xu, Anqi Chen, Joma Kanikadu Joy, Vanessa Joanne Xavier, Esther Hongqian Ong, Jeffrey Hill, Christina L. L. Chai · 2013 · ChemMedChem
65. Discovery of 2-((3-Acrylamido-4-methylphenyl)amino)-N-(2-methyl-5-(3,4,5-trimethoxybenzamido)phenyl)-4-(methylamino)pyrimidine-5-carboxamide (CHMFL-BMX-078) as a Highly Potent and Selective Type II Irreversible Bone Marrow Kinase in the X Chromosome (BMX) Kinase Inhibitor
    Xiaofei Liang, Fengchao Lv, Beilei Wang, Kailin Yu, Hong Wu, Ziping Qi, Zongru Jiang, Cheng Chen, Aoli Wang, Weili Miao et al. · 2017 · Journal of Medicinal Chemistry
66. Selective Fatty Acid Amide Hydrolase Inhibitors as Potential Novel Antiepileptic Agents
    Alessandro Grillo, Filomena Fezza, Giulia Chemi, Roberto Colangeli, Simone Brogi, Domenico Fazio, Stefano Federico, Alessandro Papa, Nicola Relitti, Roberto Di Maio et al. · 2021 · ACS Chemical Neuroscience
67. Chemical Tools for Studying Lipid-Binding Class A G Protein–Coupled Receptors
    Anna G. Cooper, Sameek Singh, Sarah M. Hook, Joel D. A. Tyndall, Andrea J. Vernall · 2017 · Pharmacological Reviews
68. New Cysteine Protease Inhibitors: Electrophilic (Het)arenes and Unexpected Prodrug Identification for the Trypanosoma Protease Rhodesain
    Philipp Klein, Patrick Johé, Annika Wagner, Sascha Jung, Jonas Kühlborn, Fabian Barthels, Stefan Tenzer, Ute Distler, Waldemar Waigel, Bernd Engels et al. · 2020 · Molecules
69. Conditional PROTAC: Recent Strategies for Modulating Targeted Protein Degradation
    Junhyeong Yim, Jun‐Young Park, Gabin Kim, Hyung Ho Lee, Jin Soo Chung, Ala Jo, Minseob Koh, Jongmin Park · 2024 · ChemMedChem
70. Combined Biophysical Chemistry Reveals a New Covalent Inhibitor with a Low-Reactivity Alkyl Halide
    Tang Li, René Maltais, Donald Poirier, Sheng‐Xiang Lin · 2018 · The Journal of Physical Chemistry Letters
71. Investigative safety science as a competitive advantage for Pharma
    Jonathan G. Moggs, Pierre Moulin, François Pognan, Dominique Brees, Michele Leonard, Steve Busch, André Cordier, David J. Heard, Michael E. Kammuller, Michael Merz et al. · 2012 · Expert Opinion on Drug Metabolism & Toxicology
72. 3-Oxo-hexahydro-1H-isoindole-4-carboxylic Acid as a Drug Chiral Bicyclic Scaffold: Structure-Based Design and Preparation of Conformationally Constrained Covalent and Noncovalent Prolyl Oligopeptidase Inhibitors
    Gaëlle Mariaule, Stéphane De Cesco, Francesco Airaghi, Jerry Kurian, Paolo Schiavini, Sylvain Rocheleau, Igor Huskić, Karine Auclair, Anthony Mittermaier, Nicolas Moitessier · 2015 · Journal of Medicinal Chemistry
73. Phosphono Bisbenzguanidines as Irreversible Dipeptidomimetic Inhibitors and Activity‐Based Probes of Matriptase‐2
    Daniela Häußler, Martin Mangold, Norbert Furtmann, Annett Braune, Michaël Blaut, Jürgen Bajorath, Marit Stirnberg, Michael Gütschow · 2016 · Chemistry - A European Journal
74. Phenylthiomethyl Ketone-Based Fragments Show Selective and Irreversible Inhibition of Enteroviral 3C Proteases
    Robert Schulz, Amira Atef, Daniel Becker, Franziska Gottschalk, Carolin Tauber, Stefan Wagner, Christoph Arkona, A. A. ABDEL‐HAFEZ, Hassan H.A. Farag, Jörg Rademann et al. · 2018 · Journal of Medicinal Chemistry
75. Activatable covalent labeling probes: design, mechanism, and biological applications
    Yinxing Miao, Yuyang Tian, Deju Ye · 2025 · Chemical Society Reviews
76. Omuralide and Vibralactone: Differences in the Proteasome‐ β‐Lactone‐γ‐Lactam Binding Scaffold Alter Target Preferences
    Anja List, Evelyn Zeiler, Nerea Gallastegui, Marion Rusch, Christian Hedberg, Stephan A. Sieber, M. Groll · 2013 · Angewandte Chemie International Edition
77. Characterization of an aromatic trifluoromethyl ketone as a new warhead for covalently reversible kinase inhibitor design
    Zhen Zhang, Yongjin Wang, Xiaojuan Chen, Xiaojuan Song, Zhengchao Tu, Yongheng Chen, Zhimin Zhang, Ke Ding · 2021 · Bioorganic & Medicinal Chemistry
78. Design and Characterization of the First Selective and Potent Mechanism-Based Inhibitor of Cytochrome P450 4Z1
    John P. Kowalski, Matthew G. McDonald, Robert D. Pelletier, Helmut Hanenberg, Constanze Wiek, Allan E. Rettie · 2020 · Journal of Medicinal Chemistry
79. Identification of 4-acrylamido- N -(pyridazin-3-yl)benzamide as anti-COVID-19 compound: a DFTB, molecular docking, and molecular dynamics study
    Nayim Sepay, Sukanya Chakrabarti, Mohd Faiz Afzal, Abdullah Saad AlArifi, Dasarath Mal · 2022 · RSC Advances
80. Deconstructing Lipid Kinase Inhibitors by Chemical Proteomics
    Rebecca L. McCloud, Caroline E. Franks, Sean Campbell, Benjamin W. Purow, Thurl E. Harris, Ku‐Lung Hsu · 2017 · Biochemistry
81. Discovery of an Irreversible and Cell-Active BCL6 Inhibitor Selectively Targeting Cys53 Located at the Protein–Protein Interaction Interface
    Tomoya Sameshima, Takeshi Yamamoto, Osamu Sano, Satoshi Sogabe, Shigeru Igaki, Kotaro Sakamoto, Koh Ida, Mika Gotou, Yasuhiro Imaeda, Junichi Sakamoto et al. · 2018 · Biochemistry
82. Auf Lysin zielende, kovalente Inhibitoren
    Jonathan Pettinger, Keith Jones, Matthew D. Cheeseman · 2017 · Angewandte Chemie
83. Relative Nuclease Resistance of a DNA Aptamer Covalently Conjugated to a Target Protein
    Yudai Tabuchi, Jay Yang, Masumi Taki · 2022 · International Journal of Molecular Sciences
84. From Automated Synthesis to In Vivo Application in Multiple Types of Cancer—Clinical Results with [68Ga]Ga-DATA5m.SA.FAPi
    Lukas Greifenstein, Carsten Sven Kramer, Euy Sung Moon, Frank Rösch, André Klega, Christian Landvogt, Corinna Müller, Richard Paul Baum · 2022 · Pharmaceuticals
85. Technologies for Direct Detection of Covalent Protein–Drug Adducts
    Elma Mons, Robbert Q. Kim, Monique P. C. Mulder · 2023 · Pharmaceuticals
86. Discovery of N-(3-(5-((3-acrylamido-4-(morpholine-4-carbonyl)phenyl)amino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl)-4-(tert-butyl)benzamide (CHMFL-BTK-01) as a highly selective irreversible Bruton's tyrosine kinase (BTK) inhibitor
    Qianmao Liang, Yongfei Chen, Kailin Yu, Cheng Chen, Shouxiang Zhang, Aoli Wang, Wei Wang, Hong Wu, Xiaochuan Liu, Beilei Wang et al. · 2017 · European Journal of Medicinal Chemistry
87. DUckCov: a Dynamic Undocking‐Based Virtual Screening Protocol for Covalent Binders
    Moira M. Rachman, Andrea Scarpino, Dávid Bajusz, Gyula Pálfy, István Vida, András Perczel, Xavier Barril, György Miklós Keserű · 2019 · ChemMedChem
88. Rational design of thioamide peptides as selective inhibitors of cysteine protease cathepsin L
    Hoang Anh T. Phan, Sam G. Giannakoulias, Taylor M. Barrett, Chunxiao Liu, E. James Petersson · 2021 · Chemical Science
89. Opportunities and challenges for the development of covalent chemical immunomodulators
    Keriann M. Backus, Jian Xin Cao, Sean M. Maddox · 2019 · Bioorganic & Medicinal Chemistry
90. HCovDock: an efficient docking method for modeling covalent protein–ligand interactions
    Qilong Wu, Sheng‐You Huang · 2022 · Briefings in Bioinformatics
91. 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
92. Design, synthesis and biological evaluation of FLT3 covalent inhibitors with a resorcylic acid core
    Jin Xu, Esther Hongqian Ong, Jeffrey Hill, Anqi Chen, Christina L. L. Chai · 2014 · Bioorganic & Medicinal Chemistry
93. Subclass‐Specific Labeling of Protein‐Reactive Natural Products with Customized Nucleophilic Probes
    Georg C. Rudolf, Maximilian F. Koch, Franziska A. M. Mandl, Stephan A. Sieber · 2015 · Chemistry - A European Journal
94. Structure-Based Design of Reactive Nucleosides for Site-Specific Modification of the A2A Adenosine Receptor
    Steven M. Moss, P. Suresh Jayasekara, Silvia Paoletta, Zhan‐Guo Gao, Kenneth A. Jacobson · 2014 · ACS Medicinal Chemistry Letters
95. Cov_FB3D: A De Novo Covalent Drug Design Protocol Integrating the BA-SAMP Strategy and Machine-Learning-Based Synthetic Tractability Evaluation
    Lin Wei, Wuqiang Wen, Li Rao, Yunyuan Huang, Mengting Lei, Kai Liu, Saiya Hu, Rongrong Song, Yanliang Ren, Jian Wan · 2020 · Journal of Chemical Information and Modeling
96. Limitations of Ligand-Only Approaches for Predicting the Reactivity of Covalent Inhibitors
    Angus T. Voice, Gary Tresadern, Herman van Vlijmen, Adrian John Mulholland · 2019 · Journal of Chemical Information and Modeling
97. Addressing the Right Targets in Oncology: Challenges and Alternative Approaches
    Julie K. Stock, Neil P. Jones, Tim R. Hammonds, Jon Roffey, Christian Dillon · 2015 · SLAS DISCOVERY
98. Recent Advances in Enzyme Immobilization in Nanomaterials
    M. Hamza · 2022 · Materials research foundations
99. Chemical Proteomics–Guided Discovery of Covalent Ligands for Cancer Proteins
    Xiaoyu Zhang, Benjamin F. Cravatt · 2024 · Annual Review of Cancer Biology
100. Recent Advances in Irreversible Kinase Inhibitors
     Adam M. Gilbert · 2014 · Pharmaceutical Patent Analyst