Covalent inhibitors design and discovery.

Cited by (345)

Items 101–200 of 345

1. Development of disulfide-derived fructose-1,6-bisphosphatase (FBPase) covalent inhibitors for the treatment of type 2 diabetes
   Yixiang Xu, Yunyuan Huang, Rong-rong Song, Yanliang Ren, Xin Chen, Chao Zhang, Fei Mao, Xiaokang Li, Jin Zhu, Shuaishuai Ni et al. · 2020 · European Journal of Medicinal Chemistry
2. Mechanism of activation and the rewired network: New drug design concepts
   Ruth Nussinov, Mingzhen Zhang, Ryan Maloney, Chung‐Jung Tsai, Bengi Ruken Yavuz, Nurcan Tunçbağ, Hyunbum Jang · 2021 · Medicinal Research Reviews
3. Heat Shock Protein 90 (HSP90) Inhibitors as Anticancer Medicines: A Review on the Computer-Aided Drug Discovery Approaches over the Past Five Years
   Ayanda M. Magwenyane, Samuel Chima Ugbaja, Daniel Gyamfi Amoako, Anou Moise Somboro, Rene Bernadette Khan, Hezekiel Mathambo Kumalo · 2022 · Computational and Mathematical Methods in Medicine
4. Synthesis and biological evaluation of new series of quinazoline derivatives as EGFR/HER2 dual-target inhibitors
   Xiaoyu Jiao, Qing Hua Zhang, Yue Zhang, Junlan Shao, Lei Ding, Chunlei Tang, Bainian Feng · 2022 · Bioorganic & Medicinal Chemistry Letters
5. 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
6. Two-Step Covalent Docking with Attracting Cavities
   Mathilde Goullieux, Vincent Zoete, Ute F. Röhrig · 2023 · Journal of Chemical Information and Modeling
7. 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
8. Levoglucosenone and Its Pseudoenantiomer iso -Levoglucosenone as Scaffolds for Drug Discovery and Development
   Xin Liu, Paul Carr, Michael G. Gardiner, Martin G. Banwell, Ahmed H. Elbanna, Zeinab G. Khalil, Robert J. Capon · 2020 · ACS Omega
9. Discovery of novel allosteric site and covalent inhibitors of FBPase with potent hypoglycemic effects
   Yunyuan Huang, Lin Wei, Xinya Han, Haifeng Chen, Yanliang Ren, Yanhong Xu, Rongrong Song, Li Rao, Su Chen, Chao Peng et al. · 2019 · European Journal of Medicinal Chemistry
10. A Nut for Every Bolt: Subunit-Selective Inhibitors of the Immunoproteasome and Their Therapeutic Potential
    Eva Maria Huber, M. Groll · 2021 · Cells
11. 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
12. Discovery of novel SARS-CoV-2 3CL protease covalent inhibitors using deep learning-based screen
    Liying Wang, Zhongtian Yu, Shiwei Wang, Zheng Guo, Qi Sun, Luhua Lai · 2022 · European Journal of Medicinal Chemistry
13. Modulation of nuclear receptor function: Targeting the protein-DNA interface
    Helder Veras Ribeiro Filho, Izabella Tambones, Marieli M. G. Dias, Natália Bernardi Videira, Marjorie Bruder, Angélica Amorim Amato, Ana Carolina Migliorini Figueira · 2019 · Molecular and Cellular Endocrinology
14. SiteRadar: Utilizing Graph Machine Learning for Precise Mapping of Protein–Ligand-Binding Sites
    Sergei A. Evteev, Alexey Ereshchenko, Yan A. Ivanenkov · 2023 · Journal of Chemical Information and Modeling
15. Covalent Kinase Inhibitors: An Overview
    Matthias Gehringer · 2020 · Topics in medicinal chemistry
16. Characteristics of Allosteric Proteins, Sites, and Modulators
    Xinheng He, Duan Ni, Shaoyong Lu, Jian Zhang · 2019 · Advances in experimental medicine and biology
17. Design and SAR Analysis of Covalent Inhibitors Driven by Hybrid QM/MM Simulations
    Alessio Lodola, Donatella Callegari, Laura Scalvini, Silvia Rivara, Marco Mor · 2020 · Methods in molecular biology
18. Pseudo-irreversible butyrylcholinesterase inhibitors: Structure–activity relationships, computational and crystallographic study of the N-dialkyl O-arylcarbamate warhead
    Anže Meden, Damijan Knez, Xavier Brazzolotto, Fabrice Modeste, Andrej Perdih, Anja Hafner Pišlar, Maša Zorman, Maja Zorović, Milica Denic, Stane Pajk et al. · 2022 · European Journal of Medicinal Chemistry
19. Technologies for Direct Detection of Covalent Protein–Drug Adducts
    Elma Mons, Robbert Q. Kim, Monique P. C. Mulder · 2023 · Pharmaceuticals
20. Hydride Abstraction as the Rate-Limiting Step of the Irreversible Inhibition of Monoamine Oxidase B by Rasagiline and Selegiline: A Computational Empirical Valence Bond Study
    Tana Tandarić, Alja Prah, Jernej Stare, Janez Mavri, Robert Vianello · 2020 · International Journal of Molecular Sciences
21. Bruton’s Tyrosine Kinase Targeting in Multiple Myeloma
    Max Von Suskil, Kazi Nasrin Sultana, Weam Othman Elbezanti, Omar S. Al‐Odat, Robert J. Chitren, Amit Kumar Tiwari, Kishore B. Challagundla, Sandeep Kumar Srivastava, Subash C. Jonnalagadda, Tülin Budak-Alpdoǧan et al. · 2021 · International Journal of Molecular Sciences
22. Derivatives of the closo-Decaborate Anion with Pendant Functional Groups as Inhibitors of Viral Replication
    E. Yu. Matveev, Timur Mansurovich Garaev, S. S. Novikov, A.I. Nichugovskiy, I. E. Sokolov, Victor F. Larichev, Varvara V. Lebedeva, Т. В. Гребенникова, Varvara Vladimirovna Avdeeva, Еlena А. Malinina et al. · 2023 · Russian Journal of Inorganic Chemistry
23. Covalent inhibitors: An ambitious approach for the discovery of newer oncotherapeutics
    Rameshwar S. Cheke, Prashant S. Kharkar · 2023 · Drug Development Research
24. Multiscale Simulations of Clavulanate Inhibition Identify the Reactive Complex in Class A β-Lactamases and Predict the Efficiency of Inhibition
    Rubén A. Fritz, Jans H. Alzate‐Morales, JAMES M. SPENCER, Adrian John Mulholland, Marc W. van der Kamp · 2018 · Biochemistry
25. Covalent Simulations of Covalent/Irreversible Enzyme Inhibition in Drug Discovery: A Reliable Technical Protocol
    Shama Khan, Imane Bjij, Fisayo Andrew Olotu, Clement Agoni, Emmanuel A. Adeniji, Mahmoud E. S. Soliman · 2018 · Future Medicinal Chemistry
26. Discovery of covalent prolyl oligopeptidase boronic ester inhibitors
    Jessica Plescia, Caroline Dufresne, Naëla Janmamode, Alexander Sean Wahba, Anthony Mittermaier, Nicolas Moitessier · 2019 · European Journal of Medicinal Chemistry
27. Discovery of Novel Benzothiazepinones as Irreversible Covalent Glycogen Synthase Kinase 3β Inhibitors for the Treatment of Acute Promyelocytic Leukemia
    Peng Zhang, Zhihui Min, Yang Gao, Jiang Bian, Xin Lin, Jie He, Deyong Ye, Yilin Li, Chao Peng, Yunfeng Cheng et al. · 2021 · Journal of Medicinal Chemistry
28. Advancements, challenges, and future frontiers in covalent inhibitors and covalent drugs: A review
    Muhammad Salman Hameed, Hongxuan Cao, Guo Li, Lei Zeng, Yanliang Ren · 2024 · European Journal of Medicinal Chemistry Reports
29. A targeted covalent inhibitor of p97 with proteome-wide selectivity
    Zi Ye, Ke Wang, Lianguo Chen, Xiaofeng Jin, Hao Chen, Guanghui Tang, Shao Qin Yao, Zhiqiang Feng, Chong‐Jing Zhang · 2021 · Acta Pharmaceutica Sinica B
30. 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
31. Mass spectrometry based proteomic approach for the screening of butyrylcholinesterase adduct formation with organophosphates
    Yaroslav A. Dubrovskii, Ekaterina A. Murashko, Olga Chuprina, Petr P. Beltyukov, Andrey S. Radilov, Nikolay D. Solovyev, Vladimir Babakov · 2019 · Talanta
32. Covalent inhibitor reactivity prediction by the electrophilicity index—in and out of scope
    Markus R. Hermann, Alexander Pautsch, Marc A. Grundl, Alexander Weber, Christofer S. Tautermann · 2020 · Journal of Computer-Aided Molecular Design
33. Slow-Binding and Covalent HDAC Inhibition: A New Paradigm?
    Yasir S. Raouf, Carlos Moreno–Yruela · 2024 · JACS Au
34. Drug repurposing for schistosomiasis: molecular docking and dynamics investigations
    Fortunatus Chidolue Ezebuo, Ikemefuna Chijioke Uzochukwu · 2020 · Journal of Biomolecular Structure and Dynamics
35. Conversion of carbazole carboxamide based reversible inhibitors of Bruton’s tyrosine kinase (BTK) into potent, selective irreversible inhibitors in the carbazole, tetrahydrocarbazole, and a new 2,3-dimethylindole series
    Qingjie Liu, Douglas G. Batt, Charu Chaudhry, Jonathan Lippy, Mark A. Pattoli, Neha Surti, Songmei Xu, Percy H. Carter, James R. Burke, Joseph A. Tino · 2018 · Bioorganic & Medicinal Chemistry Letters
36. DNA-Encoded Library Technology: A Brief Guide to Its Evolution and Impact on Drug Discovery
    Robert A. Goodnow, Christopher P. Davie · 2017 · Annual reports in medicinal chemistry
37. Medicinal chemistry strategies in the discovery and optimization of HBV core protein allosteric modulators (2018–2022 update)
    Xiaoyu Shao, Shujing Xu, Xufeng Wan, Yang Zhou, Shuo Wang, Shuo Wu, Yuhuan Li, Xinyong Liu, Peng Zhan · 2023 · Chinese Chemical Letters
38. A Targeted-Covalent Inhibitor of 17β-HSD1 Blocks Two Estrogen-Biosynthesis Pathways: In Vitro (Metabolism) and In Vivo (Xenograft) Studies in T-47D Breast Cancer Models
    Donald Poirier, Jenny Roy, René Maltais · 2021 · Cancers
39. Dual Covalent Inhibition of PKM and IMPDH Targets Metabolism in Cutaneous Metastatic Melanoma
    Marwa Zerhouni, Anthony R. Martin, Nathan Furstoss, Vincent Gutierrez, Emilie Jaune, Nedra Tekaya, Guillaume E. Béranger, Patricia Abbe, Claire Regazzetti, Hella Amdouni et al. · 2021 · Cancer Research
40. Docking Ligands into Flexible and Solvated Macromolecules. 8. Forming New Bonds─Challenges and Opportunities
    Anne Labarre, Julia K. Stille, Mihai Burai Patrascu, Andrew Martins, Joshua Pottel, Nicolas Moitessier · 2022 · Journal of Chemical Information and Modeling
41. Assessment of Reversibility for Covalent Cysteine Protease Inhibitors Using Quantum Mechanics/Molecular Mechanics Free Energy Surfaces
    Alberto Monteiro dos Santos, Amanda Ruslana Santana Oliveira, Clauber Henrique Souza da Costa, Peter W. Kenny, Carlos Alberto Montanari, Jaldyr de Jesus Gomes Varela Júnior, Jerônimo Lameira · 2022 · Journal of Chemical Information and Modeling
42. Advances in UDP-N-Acetylglucosamine Enolpyruvyl Transferase (MurA) Covalent Inhibition
    Maycon Vinicius Damasceno de Oliveira, Renan Machado Furtado, Kauê Santana da Costa, Serhii Vakal, Anderson H. Lima · 2022 · Frontiers in Molecular Biosciences
43. Development of HC-258, a Covalent Acrylamide TEAD Inhibitor That Reduces Gene Expression and Cell Migration
    Ahmed Fnaiche, Hwai‐Chien Chan, Alexis Paquin, Narjara González Suárez, Victoria Vu, Fengling Li, Abdellah Allali‐Hassani, Michelle Ada Cao, Magdalena M. Szewczyk, Albina Bolotokova et al. · 2023 · ACS Medicinal Chemistry Letters
44. An update on the discovery and development of selective heat shock protein inhibitors as anti-cancer therapy
    Fisayo Andrew Olotu, Emmanuel A. Adeniji, Clement Agoni, Imane Bjij, Shama Khan, Ahmed Abd Elkader El-Rashedy, Mahmoud E. S. Soliman · 2018 · Expert Opinion on Drug Discovery
45. Repurposing drug molecule against SARS-Cov-2 (COVID-19) through molecular docking and dynamics: a quick approach to pick FDA-approved drugs
    Nabeela Farhat, Asad Ullah Khan · 2021 · Journal of Molecular Modeling
46. Targeting immunoproteasome in neurodegeneration: A glance to the future
    Grazia Raffaella Tundo, Paolo Cascio, Danilo Milardi, Anna Maria Santoro, Grazia Graziani, Pedro Miguel Lacal, Alessio Bocedi, Francesco Oddone, Mariacristina Parravano, Andrea Coletta et al. · 2022 · Pharmacology & Therapeutics
47. 3-chymotrypsin-like protease in SARS-CoV-2
    Kenana Al Adem, Juliana C. Ferreira, Adrian J. Villanueva, Samar Fadl, Farah El-Sadaany, I. Masmoudi, Yugmee Gidiya, Tariro Gurudza, Thyago Hermylly Santana Cardoso, Nitin K. Saksena et al. · 2024 · Bioscience Reports
48. Perspective on Improving the Relevance, Rigor, and Reproducibility of Botanical Clinical Trials: Lessons Learned From Turmeric Trials
    Janet L. Funk, Claus G. Schneider · 2021 · Frontiers in Nutrition
49. Pharmacophoric analogs of sotorasib-entrapped KRAS G12C in its inactive GDP-bound conformation: covalent docking and molecular dynamics investigations
    Abdul-Quddus Kehinde Oyedele, Abdeen Tunde Ogunlana, Ibrahim Damilare Boyenle, Najahtulahi Opeyemi Ibrahim, Ibrahim Olajide Gbadebo, Nurudeen Owolabi, Mojeed Ayoola Ashiru, Ann Christopher Francis, Olajumoke Eyinade, Temitope Isaac Adelusi · 2022 · Molecular Diversity
50. Covalent S-Adenosylhomocysteine-Based DNA Methyltransferase 2 Inhibitors with a New Type of Aryl Warhead
    Marvin Schwickert, Robert A. Zimmermann, Tanja Habeck, Sabrina N. Hoba, Zarina Nidoieva, Tim R. Fischer, Martin M. Stark, Christian Kersten, Frederik Lermyte, Mark Helm et al. · 2023 · ACS Medicinal Chemistry Letters
51. Integrated Synthetic, Biophysical, and Computational Investigations of Covalent Inhibitors of Prolyl Oligopeptidase and Fibroblast Activation Protein α
    Jessica Plescia, Stéphane De Cesco, Mihai Burai Patrascu, Jerry Kurian, Justin M. Di Trani, Caroline Dufresne, Alexander Sean Wahba, Naëla Janmamode, Anthony Mittermaier, Nicolas Moitessier · 2019 · Journal of Medicinal Chemistry
52. Optimization study towards more potent thiazolidine-2,4-dione IKK-β modulator: Synthesis, biological evaluation and in silico docking simulation
    Ahmed Elkamhawy, Nam youn Kim, Ahmed H.E. Hassan, Jung-eun Park, Jeong-Eun Yang, Mohamed H. Elsherbeny, Sora Paik, Kwang‐Seok Oh, Byung Ho Lee, Mi Young Lee et al. · 2019 · Bioorganic Chemistry
53. Effects of 3‐Bromo‐4,5‐dihydroisoxazole Derivatives on Nrf2 Activation and Heme Oxygenase‐1 Expression
    Andrea Pinto, Zeina El Ali, S. Moniot, Lucia Tamborini, Clemens Steegborn, Roberta Foresti, Carlo De Micheli · 2018 · ChemistryOpen
54. Unravelling the covalent binding of zampanolide and taccalonolide AJ to a minimalist representation of a human microtubule
    Pedro A. Sánchez‐Murcia, Alberto Mills, Álvaro Cortés-Cabrera, Federico Gago · 2019 · Journal of Computer-Aided Molecular Design
55. Structure-based design of covalent inhibitors targeting metallo-β-lactamases
    Cheng Chen, Ke‐Wu Yang · 2020 · European Journal of Medicinal Chemistry
56. 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
57. Structure‐Guided Drug Design Targeting Abl Kinase: How Structure and Regulation Can Assist in Designing New Drugs
    Diego Magno Martins, Philipe Oliveira Fernandes, Lucas A. Vieira, Vinícius Gonçalves Maltarollo, Adolfo Henrique Moraes · 2024 · ChemBioChem
58. First-in-class ultralong-target-residence-time p38α inhibitors as a mitosis-targeted therapy for colorectal cancer
    Ramona Rudalska, Jule Harbig, Michael Förster, Pascal Woelffing, Aylin Esposito, Mark Kudolo, Adelina Botezatu, Vanessa Haller, Nicole Janssen, Samuel J. Holzmayer et al. · 2025 · Nature Cancer
59. Understanding the influence of AMG 510 on the structure of KRAS G12C empowered by molecular dynamics simulation
    Yu Li, Lei Han, Ziding Zhang · 2022 · Computational and Structural Biotechnology Journal
60. Combinatorially Screened Peptide as Targeted Covalent Binder: Alteration of Bait-Conjugated Peptide to Reactive Modifier
    Shuta Uematsu, Yudai Tabuchi, Yuji Ito, Masumi Taki · 2018 · Bioconjugate Chemistry
61. Structure-Based Screening of Non-β-Lactam Inhibitors against Class D β-Lactamases: An Approach of Docking and Molecular Dynamics
    Divya Gupta, Aditi Puri Singh, Pallavi Somvanshi, Ajeet Singh, Asad Ullah Khan · 2020 · ACS Omega
62. Discovery of Immunoproteasome Inhibitors Using Large-Scale Covalent Virtual Screening
    Andrea Scarpino, Dávid Bajusz, Matic Proj, Martina Gobec, Izidor Sosič, Stanislav Gobec, György G. Ferenczy, György Miklós Keserű · 2019 · Molecules
63. Gold-Catalyzed Access to Isophosphinoline 2-Oxides
    Mina Hariri, Fatemeh Darvish, Karen-Pacelye Mengue Me Ndong, Nora Sechet, Géraud Chacktas, Hooriye Boosaliki, Minh Loan Tran Do, Gabin Mwande Maguene, Jacques Lebibi, Alexander Romanovich Burilov et al. · 2021 · The Journal of Organic Chemistry
64. Warheads for designing covalent inhibitors and chemical probes
    Péter Ábrányi‐Balogh, György Miklós Keserű · 2021 · Elsevier eBooks
65. Inhibiting a dynamic viral protease by targeting a non-catalytic cysteine
    Kaitlin R. Hulce, Priyadarshini Jaishankar, Gregory Lee, Markus‐Frederik Bohn, Emily J. Connelly, Kristin Wucherer, Chayanid Ongpipattanakul, Regan F. Volk, Shih‐Wei Chuo, Michelle R. Arkin et al. · 2022 · Cell chemical biology
66. Acrylamide moiety, a Valuable Fragment in Medicinal Chemistry: Insight into Synthetic Methodologies, Chemical Reactivity and Spectrum of Biological Activities of Acrylamide Derivatives
    Hossam R. Elgiushy, Sherif Hammad, Ashraf S. Hassan, Nageh A. Abou-Taleb, Khaled A. M. Abouzid · 2018 · Journal of Advanced Pharmacy Research
67. Razing the scaffolding: the elimination of non-catalytic functions of kinases through targeted protein degradation
    Sarah Pogash, Steven Fletcher · 2025 · RSC Medicinal Chemistry
68. New peptidomimetic rhodesain inhibitors with improved selectivity towards human cathepsins
    Sascha Jung, Natalie S. Fuchs, Christoph W. Grathwol, Ute A. Hellmich, Annika Wagner, Erika Diehl, Thomas Willmes, Christoph Sotriffer, Tanja Schirmeister · 2022 · European Journal of Medicinal Chemistry
69. Covalent-reversible peptide-based protease inhibitors. Design, synthesis, and clinical success stories
    Anthony Feral, Anthony R. Martin, Alexandre Desfoux, Muriel Amblard, Lubomir Vezenkov · 2023 · Amino Acids
70. Advanced technologies for screening and identifying covalent inhibitors
    Yaolin Guo, Shuai Wen, Aiping Tong, Yuxi Wang · 2024 · TrAC Trends in Analytical Chemistry
71. Discovery of Novel Pyrazole/Thiazole Derivatives Containing Cyano/Thiocyanato Groups as Fungicide Candidates
    Peng Dai, Zihua Ma, Kaili Xie, Yufei Li, Yujie Zhang, Chenxiao Li, Yafang Sun, Yu‐Cheng Gu, Qing Xia, Weihua Zhang · 2025 · Journal of Agricultural and Food Chemistry
72. Optimized ebselen derivatives as novel potent Escherichia coli β-glucuronidase covalent allosteric inhibitors
    Ti‐Ti Ying, Haoqiang Hu, Xiao-Wen Wu, Xu-Liang Xu, Jian Lv, Shuning Zhang, Hong Wang, Wei Hou, Bin Wei, Guo‐Wu Rao · 2025 · European Journal of Medicinal Chemistry
73. CarsiDock-Cov: A deep learning-guided approach for automated covalent docking and screening
    Chao Shen, Hongyan Du, Xujun Zhang, Shukai Gu, Heng Cai, Yu Kang, Peichen Pan, Qingwei Zhao, Tingjun Hou · 2025 · Acta Pharmaceutica Sinica B
74. Structure-based discovery of IHMT-IDH1-053 as a potent irreversible IDH1 mutant selective inhibitor
    Qianmao Liang, Beilei Wang, Fengming Zou, Gongrui Guo, Wenliang Wang, Wei Wang, Qingwang Liu, Lijuan Shen, Chen Hu, Wenchao Wang et al. · 2023 · European Journal of Medicinal Chemistry
75. Discovery of Nedd4 auto-ubiquitination inhibitors
    Darren Yong, Stuart R. Green, Pegah Ghiabi, Vijayaratnam Santhakumar, Masoud Vedadi · 2023 · Scientific Reports
76. A patent review of CYP3A4 inhibitors (2018 – present)
    Dong‐Zhu Tu, Xueyan Hu, Jing-Xuan Lei, Shuyan Liu, Zhang-Ping Xiao, Ling Yang, Guangbo Ge · 2025 · Expert Opinion on Therapeutic Patents
77. Development of Orally Bioavailable Octahydroindole-Based Peptidomimetic Derivative as a Broad-Spectrum Inhibitor against HCoV-OC43 and SARS-CoV-2
    Shulei Hu, Yumin Zhang, Chenchen Wang, Jian Li, Haixia Su, Xiong Xie, Jiang Wang, Jinlin Wang, Junyuan Cao, Xiaofei He et al. · 2025 · Journal of Medicinal Chemistry
78. Time-series analysis of rhenium(I) organometallic covalent binding to a model protein for drug development
    Frederick J. F. Jacobs, John Richard Helliwell, Alice Brink · 2024 · IUCrJ
79. A High-Content Screen Reveals New Small-Molecule Enhancers of Ras/Mapk Signaling as Probes for Zebrafish Heart Development
    Manush Saydmohammed, Laura L. Vollmer, Ezenwa Obi Onuoha, Taber S. Maskrey, Gregory A. Gibson, Simon C. Watkins, Peter Wipf, Andreas Vogt, Michael Tsang · 2018 · Molecules
80. On the Origin of the Different Reversible Characters of Salinosporamide A and Homosalinosporamide A in the Covalent Inhibition of the Human 20S Proteasome
    Natalia Serrano-Aparicio, Vicent Moliner, Katarzyna Świderek · 2021 · ACS Catalysis
81. Profiling nuclear cysteine ligandability and effects on nuclear localization using proximity labeling-coupled chemoproteomics
    Qianni Peng, Eranthie Weerapana · 2023 · Cell chemical biology
82. Harnessing molecular proximity for antiviral innovations: advances in proximity-inducing modalities against viral infections
    Linan Wu, Shujing Xu, Yang Zhou, Dazhou Shi, Mei Wang, Meehyein Kim, Peng Zhan · 2025 · Science China Chemistry
83. Roadmap to Pyruvate Kinase M2 Modulation - A Computational Chronicle
    Amit Shard, Saumya Kapoor, Deep Rohan Chatterjee, Moumita Ghosh Chowdhury, Rudradip Das · 2023 · Current Drug Targets
84. A temperature-regulated bioorthogonal reaction to target lysine: Hemiacetal pharmacophore in genipin irreversibly binds with UCP2, inhibiting mitochondrial thermogenesis
    Fukui Shen, Wen Yang, Kaixue Zhang, Yanting Jiao, Jing Z Cui, Yuanyuan Hou, Gang Bai · 2023 · Chinese Chemical Letters
85. 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
86. Covalent drug – An emerging framework for targeted drug development
    Ritesh P. Bhole, Govinda O. Joshi, Harshad S. Kapare, Rupesh V. Chikhale, Somdatta Y. Chaudhari · 2024 · Results in Chemistry
87. Polymer-Assisted Synthesis of Single and Fused Diketomorpholines
    Petra Králová, Sandra Benická, Miroslav Soural · 2019 · ACS Combinatorial Science
88. Xanthine oxidoreductase inhibition – A review of computational aspect
    Chao Dong, Milka O. Montes, Wael M. Al-Sawai · 2020 · Journal of Theoretical and Computational Chemistry
89. Molecular Insights into the Impact of Mutations on the Binding Affinity of Targeted Covalent Inhibitors of BTK
    Ernest Awoonor‐Williams, Abd Al‐Aziz A. Abu‐Saleh · 2024 · The Journal of Physical Chemistry B
90. Detection of Noncovalent Protein–Ligand Complexes by IR-MALDESI-MS
    Kevan T. Knizner, Fan Pu, James W. Sawicki, Andrew J. Radosevich, Scott A. Ugrin, Nathaniel L. Elsen, Jon D. Williams, David C. Muddiman · 2024 · Journal of the American Society for Mass Spectrometry
91. Application and Cross-Validation of a High-Throughput SPR Method for Characterizing Covalent Binding Ligands
    Wei Zhou, Xuecheng Ye, Suraj Pandey, Xinlin Du · 2025 · ACS Omega
92. ENPP1 inhibitor with ultralong drug-target residence time as an innate immune checkpoint blockade cancer therapy
    Songnan Wang, Randolph M. Johnson, Jacqueline A. Carozza, Daniel Fernández, Jan J. Scicinski, Neil A. Verity, Rachel E. Mardjuki, Xujun Cao, Yingjie Guo, Jacqueline S. Papkoff et al. · 2025 · Cell Reports Medicine
93. Synthesis and Biological Evaluation of Oxindole Sulfonamide Derivatives as Bruton's Tyrosine Kinase Inhibitors**
    Chandra Prakash Koraboina, Venkatanarayana Chowdary Maddipati, Narendran Annadurai, Soňa Gurská, Petr Džubák, Marián Hajdúch, Viswanath Das, Rambabu Gundla · 2023 · ChemMedChem
94. Biological evaluation and SAR analysis of novel covalent inhibitors against fructose-1,6-bisphosphatase
    Xinya Han, Yunyuan Huang, Lin Wei, Haifeng Chen, Yanrong Guo, Zilong Tang, Wei Hu, Qinfei Xia, Qi Wang, Jufen Yan et al. · 2020 · Bioorganic & Medicinal Chemistry
95. Elucidation of the α-Ketoamide Inhibition Mechanism: Revealing the Critical Role of the Electrostatic Reorganization Effect of Asp17 in the Active Site of the 20S Proteasome
    Jiao Zhou, Xiaohong Sang, Juan Wang, Yan Xu, Jing An, Zhen Tao Chu, Arjun Saha, Arieh Warshel, Ziwei Huang · 2023 · ACS Catalysis
96. Metal-Free C–C Coupling of an Allenyl Sulfone with Picolyl Amides to Access Vinyl Sulfones via Pyridine-Initiated In Situ Generation of Sulfinate Anion
    Humair M. Omer, Peng Liu, Kay M. Brummond · 2020 · The Journal of Organic Chemistry
97. Binding Mode Prediction and Virtual Screening Applications by Covalent Docking
    Andrea Scarpino, György G. Ferenczy, György Miklós Keserű · 2021 · Methods in molecular biology
98. Reactivities of acrylamide warheads toward cysteine targets: a QM/ML approach to covalent inhibitor design
    Aaron D. Danilack, Callum J. Dickson, Cihan Soylu, Michael Fortunato, Stephane Rodde, Hagen Münkler, Viktor Horn̆ák, José S. Duca · 2024 · Journal of Computer-Aided Molecular Design
99. Identification of an Allene Warhead That Selectively Targets a Histidine Residue in the Escherichia coli Oxidoreductase Enzyme DsbA
    Yildiz Tasdan, Gautham R. Balaji, Naureen Akhtar, Olga V. Ilyichova, Taylor Cunliffe, Begoña Heras, Loic Le Strat, James B. Murray, Ben Capuano, Martin J. Scanlon et al. · 2025 · ACS Medicinal Chemistry Letters
100. Cyanoacrylamides as versatile scaffolds in medicinal chemistry: From synthetic strategies to therapeutic applications
     Ismail A. Abdelhamid, Karim Barakat, Fatma G. Mohamed, Mohamed A. Ragheb, Hadeer M. Diab, Amr M. Abdelmoniem, Ahmed H. M. Elwahy · 2026 · Journal of Molecular Structure