Twenty years on: the impact of fragments on drug discovery

Cited by (1,000)

Items 601–700 of 1,000

1. LpxC inhibition: Potential and opportunities with carbohydrate scaffolds
   Amudala Subramanyam, Sumit Sumit, Indrapal Singh Aidhen · 2024 · Carbohydrate Research
2. MCSS-Based Predictions of Binding Mode and Selectivity of Nucleotide Ligands
   Roy González‐Alemán, Nicolas Chevrollier, Manuel Simoes, Luís A. Montero, Fabrice Leclerc · 2021 · Journal of Chemical Theory and Computation
3. Selection of DNA‐Encoded Dynamic Chemical Libraries for Direct Inhibitor Discovery
   Yuqing Deng, Jianzhao Peng, Feng Xiong, Yinan Song, Yu Zhou, Jianfu Zhang, Fong Sang Lam, Chao Xie, Wenyin Shen, Yiran Huang et al. · 2020 · Angewandte Chemie
4. Rational Design of a Novel Tubulin Inhibitor with a Unique Mechanism of Action
   Tobias Mühlethaler, Lampros Milanos, Jose Antonio Ortega, Thorsten B. Blum, Dario Gioia, Bibhas Roy, Andrea Enrico Prota, Andrea Cavalli, Michel Olivier Steinmetz · 2022 · Angewandte Chemie
5. Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study
   Michael Kugler, Martin Hadzima, Rastislav Dzijak, Robert Rampmaier, Pavel Srb, Lukáš Vrzal, Zdeněk Vobůrka, Pavel Majer, Pavlína Řezáčová, Milan Vrábel · 2022 · RSC Medicinal Chemistry
6. F ragtory : Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp3-Enriched Fragment Library
   Mike Bührmann, Shivakrishna Kallepu, Jonas D. Warmuth, Jan N. Wiese, Christiane Ehrt, Helge Vatheuer, Wolf Hiller, Carina Seitz, Laura M. Levy, Paul Czodrowski et al. · 2023 · Journal of Medicinal Chemistry
7. Searching the chemical space for effective magnesium dissolution modulators: a deep learning approach using sparse features
   Elisabeth J. Schiessler, Tim Würger, Bahram Vaghefinazari, Sviatlana V. Lamaka, Robert H. Meißner, Christian Johannes Cyron, Mikhail L. Zheludkevich, Christian Feiler, Roland Can Aydin · 2023 · npj Materials Degradation
8. Synthesis of Benzofuro[3,2-b]indol-3-one Derivatives via Dearomative (3 + 2) Cycloaddition of 2-Nitrobenzofurans and para-Quinamines
   Wei‐Cheng Yuan, Hai-Ying Zeng, Yan-Ping Zhang, Jian‐Qiang Zhao, Yong You, Jun‐Qing Yin, Ming‐Qiang Zhou, Zhen‐Hua Wang · 2024 · Molecules
9. Phenoxyalkyl cyclic and acyclic amine derivatives: what do they teach us about scaffold-based drug design?
   Mohammad Mahdi Rezaeifar, Ardavan Abiri, Hojjat Rezaiezadeh, Marziye Ranjbar Tavakoli, Mohammad Amin Langarizadeh, Yaghoub Pourshojaei · 2024 · Medicinal Chemistry Research
10. Current status and future prospects for enabling chemistry technology in the drug discovery process
    Stevan W. Djurić, Charles W. Hutchins, Nari N. Talaty · 2016 · F1000Research
11. Proteintemplat‐gesteuerte Bildung eines Inhibitors des Koagulationsfaktors Xa durch eine Amidierung ohne Hintergrundreaktion
    Mike Jaegle, Torsten Steinmetzer, Jörg Rademann · 2017 · Angewandte Chemie
12. Multi‐target Fragments Display Versatile Binding Modes
    Malgorzata N. Drwal, Guillaume Bret, Esther Kellenberger · 2017 · Molecular Informatics
13. Substituted, Fused, Tricyclic 6,7‐Dihydro‐1H,5H‐pyrido[1,2,3‐de]quinoxaline‐3‐amines by Isocyanide‐Abetted Cycloaddition Reaction
    Chandra Sourabh Azad, Anudeep K. Narula · 2017 · European Journal of Organic Chemistry
14. Discovery of Novel Druggable Sites on Zika Virus NS3 Helicase Using X-ray Crystallography-Based Fragment Screening
    Ali H. Munawar, Steven Beelen, Ahmad Munawar, Eveline Lescrinier, Sergei V. Strelkov · 2018 · International Journal of Molecular Sciences
15. Computational design of substrate selective inhibition
    Benny Da’adoosh, Kon Kaito, Keishi Miyashita, Minoru Sakaguchi, Amiram Goldblum · 2020 · PLoS Computational Biology
16. Identifying bioactivity of pseudo-natural products using the Cell Painting assay
    José‐Manuel Gally, Axel Pahl, Herbert Waldmann · 2020 · ARKIVOC
17. Fragment-to-lead tailored in silico design
    Moira M. Rachman, Serena G. Piticchio, Maciej Majewski, Xavier Barril · 2021 · Drug Discovery Today Technologies
18. Toward target 2035: EUbOPEN - a public–private partnership to enable & unlock biology in the open
    Claudia Tredup, Suzanne Z. Ackloo, Hartmut Beck, Peter J. Brown, Alex N. Bullock, Alessio Ciulli, Ivan Đikić, Kristina Edfeldt, A.M. Edwards, Jonathan M. Elkins et al. · 2024 · RSC Medicinal Chemistry
19. Drugging Challenging Cancer Targets Using Fragment-Based Methods
    Stephen W. Fesik · 2025 · Chemical Reviews
20. Accelerating fragment-based drug discovery using grand canonical nonequilibrium candidate Monte Carlo
    William G Poole, Marley L. Samways, Davide Branduardi, Richard D. Taylor, M. Verdonk, J. Essex · 2025 · Nature Communications
21. High-throughput investigation of macromolecular interactions for drug development using spectral shift technology
    Charlotte E. Hunter, Ehmke Pohl, Stefanie Freitag · 2025 · Biophysical Reviews
22. Rescaling NMR for a Larger Deployment in Drug Discovery: Hyperpolarization and Benchtop NMR as Potential Game‐Changers
    Matthias Bütikofer, Gabriela R. Stadler, Felix Torres · 2024 · Chemistry - Methods
23. The HZB F2X‐Facility—An Efficient Crystallographic Fragment Screening Platform
    Tatjana Barthel, Laila S. Benz, Yara Basler, Thomas Crosskey, Alexander Dillmann, Ronald Förster, Paula Fröling, Camilla Genter Dieguez, Christine Gless, Thomas Hauß et al. · 2024 · Applied Research
24. Molecular modeling of neurological membrane proteins − from binding sites to synapses
    Lucy Kate Ladefoged, Talia Zeppelin, Birgit Schiøtt · 2018 · Neuroscience Letters
25. Structural biology of human GPCR drugs and endogenous ligands - insights from NMR spectroscopy
    Guillaume Ferré, Matthew T. Eddy · 2020 · Methods
26. Evaluating Metal–Ligand Interactions of Metal-Binding Isosteres Using Model Complexes
    Hyeonglim Seo, Kathleen E. Prosser, Mark Kalaj, Johannes Karges, Benjamin L. Dick, Seth M. Cohen · 2021 · Inorganic Chemistry
27. Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin
    Yun Yu Shi, Ibrahim Mustafa El-Deeb, Veronika Masic, Lauren E. Hartley‐Tassell, Andrea Maggioni, Mark von Itzstein, Thomas Ve · 2021 · Pharmaceuticals
28. Discovery of a fragment hit compound targeting D-Ala:D-Ala ligase of bacterial peptidoglycan biosynthesis
    Matic Proj, Martina Hrast, Gregor Bajc, Rok Frlan, A. Meden, Matej Butala, Stanislav Gobec · 2022 · Journal of Enzyme Inhibition and Medicinal Chemistry
29. Rational Strategy for Designing Peptidomimetic Small Molecules Based on Cyclic Peptides Targeting Protein–Protein Interaction between CTLA-4 and B7-1
    Kumiko Tsuihiji, Eiji Honda, Kanehisa Kojoh, Shizue Katoh, Tomonori Taguri, Atsushi Yoshimori, Hajime Takashima · 2022 · Pharmaceuticals
30. Sodium Oligomannate Electrostatically Binds to Aβ and Blocks Its Aggregation
    Chen Zhou, Jingjing Zhang, Xinwen Luo, Fulin Lian, Yangyang Zeng, Zhenqing Zhang, Haiyan Zhang, Naixia Zhang · 2023 · The Journal of Physical Chemistry B
31. Multistep and multivectorial assembly line library synthesis in flow
    Brenda Pijper, Irini Abdiaj, Javier Mazuela, María Lourdes Linares, José Enrique Gómez, Raquel Rodríguez, Belén Chaves‐Arquero, Eduardo Palao, Santiago Cañellas, Jesús Alcázar · 2024 · Chem Catalysis
32. Identifying Protein Allosteric Transitions for Drug Discovery with 1D NMR
    Isabelle Krimm · 2017 · ChemMedChem
33. Synthesis and biological profiling of novel isocoumarin derivatives and related compounds
    Milena R. Simić, Slavica Erić, Ivan Borić, Annamaria Lubelska, Gniewomir Latacz, Katarzyna Kieć‐Kononowicz, Sandra Vojnović, Jasmina Nikodinovic Runic, Vladimir Savić · 2021 · Journal of the Serbian Chemical Society
34. Fragment Screening by NMR
    Ben J. Davis · 2021 · Methods in molecular biology
35. Tandem Nenitzescu Reaction/Nucleophilic Aromatic Substitution to Form Novel Pyrido Fused Indole Frameworks
    Rashmi Singh, Harshita Bhatia, Prabhat Prakash, Elke Debroye, Swapan Dey, Wim Dehaen · 2021 · European Journal of Organic Chemistry
36. Fragment‐Based Ligand Discovery
    Ben J. Davis, Roderick E. Hubbard · 2020 · Wiley eBooks
37. Decoding Surface Fingerprints for Protein-Ligand Interactions
    Ilia Igashov, Arian R. Jamasb, Ahmed Sadek, Freyr Sverrisson, Arne Schneuing, Píetro Lió, Tom L. Blundell, Michael M. Bronstein, Bruno E. Correia · 2022 · bioRxiv (Cold Spring Harbor Laboratory)
38. Unlocking DCAFs To Catalyze Degrader Development: An Arena for Innovative Approaches
    Qi Miao, Vilas D. Kadam, Ayan Mukherjee, Zhi Tan, Mingxing Teng · 2023 · Journal of Medicinal Chemistry
39. Allosteric inhibition of the IZUMO1–JUNO fertilization complex by the naturally occurring antisperm antibody OBF13
    Yonggang Lu, Masahito Ikawa, Shaogeng Tang · 2025 · Proceedings of the National Academy of Sciences
40. Exploiting Avidity Effects for the Discovery of Low Affinity Protein-Binding Fragments
    Isuru M. Jayalath, Donella M. Beckwith, Jihyeon Yoon, Xingui Liu, Thomas J. Kodadek · 2025 · Journal of Medicinal Chemistry
41. The evolution of molecular dynamics as a tool for the study and development of molecularly imprinted materials – status quo, quo vadis?
    Ian A. Nicholls, Kerstin Golker, Jesper G. Wiklander · 2025 · TrAC Trends in Analytical Chemistry
42. Synthesis of Complex Tetracyclic Fused Scaffolds Enabled by (3 + 2) Cycloaddition
    Vincent Porte, Branca C. van Veen, Haoqi Zhang, Paolo Piacentini, Sergio Armentia Matheu, Sophie Woolford, Kevin Rafael Sokol, Saad Shaaban, Harald Weinstabl, Nuno Maulide · 2024 · Organic Letters
43. Drug screening approaches for small-molecule compounds in cancer-targeted therapy
    Yelin Zhao, Chenyu Yuan, Yuchen Shi, Xiaohong Liu, Liaoxin Luo, Li Zhang, Milica Pešić, Hong-Juan Yao, Liang Li · 2024 · Journal of drug targeting
44. Integrating fragment-based screening with targeted protein degradation and genetic rescue to explore eIF4E function
    Swee Y. Sharp, Marianna Martella, Sabrina D’Agostino, Christopher I. Milton, George Ward, Andrew Woodhead, Caroline J. Richardson, Maria G. Carr, Elisabetta Chiarparin, Benjamin D. Cons et al. · 2024 · Nature Communications
45. An efficient screening of dissolution modulators of Mg alloys: Combining high-throughput multi-well exposure with topographical quantification of volume loss and pitting corrosion
    Ci Song, Bahram Vaghefinazari, Tim Wüerger, Anna Lisitsyna, Di Mei, Maria Nienaber, Jan Bohlen, Mikhail L. Zheludkevich, Shadi Albarqouni, Christian Feiler et al. · 2025 · Corrosion Science
46. Preparing for successful protein crystallization experiments
    Gabrielle R. Budziszewski, Vivian Stojanoff, Sarah E. J. Bowman · 2025 · Acta Crystallographica Section F Structural Biology Communications
47. Structural Modifications for Biological Activity Enhancements in Thiosemicarbazone Scaffolds and Their Metal Complexes
    Tahmeena Khan, Saman Raza, Kulsum Hashmi, Mohammad Imran Ahmad, Abdul Rahman Khan · 2025 · Synlett
48. Akt inhibitors in cancer therapy
    Manzar Alam, Sabeeha Ali, Md. Imtaiyaz Hassan · 2022 · Elsevier eBooks
49. Catalytic Protein Inhibitors
    Thomas J. Kodadek · 2023 · Angewandte Chemie International Edition
50. Fluoromethylketone‐Fragment Conjugates Designed as Covalent Modifiers of Ec DsbA are Atypical Substrates
    B.C. Doak, Rebecca L. Whitehouse, Kieran A. Rimmer, Martin L Williams, Begoña Heras, Sofia Caria, Olga V. Ilyichova, Mansha Vazirani, Biswaranjan Mohanty, Jason Brian Harper et al. · 2024 · ChemMedChem
51. Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design
    Manjeet Mukherjee, Philip J. Day, Duncan C. Laverty, Juan A. Bueren‐Calabuig, Andrew Woodhead, Charlotte Griffiths-Jones, Steve Hiscock, Charlotte East, Susan Boyd, Marc O’Reilly · 2024 · Structure
52. Fragment‐Based Approach for Hierarchical Nanotube Assembly of Small Molecules in Aqueous Phase
    Ayisha Zia, Meihui Yi, Zhiyu Liu, Fengbin Wang, Bing Xu · 2025 · Chemistry - A European Journal
53. Hot-spot identification on a broad class of proteins and RNA suggest unifying principles of molecular recognition
    John L. Kulp, Ian S. Cloudsdale, John L. Kulp, Frank Guarnieri · 2017 · PLoS ONE
54. Assessing molecular interactions with biophysical methods using the validation cross
    Alvar D. Gossert · 2018 · Biochemical Society Transactions
55. Molecular Docking-assisted Protein Chip Screening of Inhibitors for Bcl-2 Family Protein-protein Interaction to Discover Anticancer Agents by Fragment-based Approach
    Myoung‐Schook Yoou, Sungjoon Cho, Young‐Jin Choi · 2019 · BioChip Journal
56. Shortcuts to schistosomiasis drug discovery: The state-of-the-art
    José Teófilo Moreira‐Filho, Rafael Ferreira Dantas, Mário Roberto Senger, Arthur C. Silva, Dulcinéa Maria Barbosa Campos, Eugene N. Muratov, Floriano Paes Silva, Carolina Horta Andrade, Bruno J. Neves · 2019 · Annual reports in medicinal chemistry
57. Targeting HIV-1 Reverse Transcriptase Using a Fragment-Based Approach
    Mahta Mansouri, Shawn Rumrill, Shane Dawson, Adam Johnson, Jo‐Anne Pinson, Menachem J. Gunzburg, Catherine F. Latham, Νicholas Barlow, George Williams Mbogo, Paula C. Ellenberg et al. · 2023 · Molecules
58. A novel podophyllotoxin derivative with higher anti-tumor activity produced via 4′-demethylepipodophyllotoxin biotransformation by Penicillium purpurogenum
    Kai‐Zhi Jia, Xia Fei Zhan, Hongmei Li, Shengying Li, Yuemao Shen, Qingsheng Qi, Youming Zhang, Yue‐zhong Li, Ya-jie Tang A · 2020 · Process Biochemistry
59. Latency, thermal stability, and identification of an inhibitory compound of mirolysin, a secretory protease of the human periodontopathogen Tannerella forsythia
    Krzysztof M. Żak, Mark J. Bostock, Irena Waligórska, Ida B. Thøgersen, Jan J. Enghild, Grzegorz M. Popowicz, P. Grudnik, Jan Potempa, Mirosław Książęk · 2021 · Journal of Enzyme Inhibition and Medicinal Chemistry
60. 1H Nuclear Magnetic Resonance: A Future Approach to the Metabolic Profiling of Psychedelics in Human Biofluids?
    Sylvana Vilca-Melendez, Malin Vedøy Uthaug, Julian Leether Griffin · 2021 · Frontiers in Psychiatry
61. Fragment based drug design
    Rahul Ashok Sachdeo, Tulika Anthwal, Sumitra Nain · 2022 · Physical Sciences Reviews
62. Crystallography and the development of therapeutic medicines
    Edward N. Baker · 2018 · IUCrJ
63. Molecular Dynamics in the Study and Development of Molecularly Imprinted Materials – Status Quo, Quo Vadis?
    Ian A. Nicholls, Kerstin Golker, Jesper G. Wiklander · 2022 · Preprints.org
64. Synthesis and Biological Evaluation of Novel 1,2,4-Triazole Derivatives Containing Amino Acid Fragments
    Haoran Shi, Mingxu Li, Zhenghong Zhou, Aidang Lu, Ziwen Wang · 2025 · Molecules
65. Design, modular synthesis and screening of 58 shape-diverse 3-D fragments
    Thomas D. Downes, Simon P. Jones, James D. Firth, John F. Darby, Amelia K. Gilio, Hanna F. Klein, Xinyu Wang, David C. Blakemore, Claudia De Fusco, Stephen D. Roughley et al. · 2025 · Chemical Science
66. PROTACs in targeted protein degradation: Advances in development and AI-enhanced drug discovery
    Mao Du, Tao Liu, Wenyu Wang, Shuai Fan, Mei Tian, Qing Du, Zhidong Wang, Xiaodong Li, Xiaoyu Liu, Qin Xia et al. · 2026 · European Journal of Medicinal Chemistry Reports
67. Fragment-based Drug Discovery Successful Contributions to Current Pharmacotherapeutic Agents Arsenal against Aggressive Cancers: A Mini-Review
    Leandro Marcos Santos, Nelson José Freitas da Silveira · 2023 · Anti-Cancer Agents in Medicinal Chemistry
68. Obtain substance of anti-glioblastoma from Erigeron breviscapus through fragment-based target research (FBTR): An efficient strategy for pharmacology investigation and optimization of natural products
    Chunguo Wang, Jinli Shi, Qinling Rao, Bingqing Shen, Canyu Su, Heng Chen, Zhixing Huang, Shuwei Jiang, Rongge He, Lin Xu et al. · 2025 · Journal of Pharmaceutical Analysis
69. General Strategies for Rational Design and Discovery of Multitarget Drugs
    Zhiguo Wang, Baofeng Yang · 2022 · Springer eBooks
70. Synthesis of Aza-Bridged Perhydroazulene Chimeras of Tropanes and Hederacine A
    Sofiane Hocine, Edouard Duchamp, Akash Mishra, Jean‐Marie Fourquez, Stephen Hanessian · 2023 · The Journal of Organic Chemistry
71. FRAGMENTISE : A user‐friendly, cross‐platform tool to create and analyze comprehensive small‐molecule fragment databases
    Joanna Zarnecka, Katarzyna H. Kaminska · 2023 · Journal of Computational Chemistry
72. Integration of biophysical and biological approaches to validate fragment-like compounds targeting l,d-transpeptidases from Mycobacterium tuberculosis
    Gerardo Andrés Libreros-Zúñiga, Danilo Pavão e Pavão, Vinicius de Morais Barroso, Nathalya Cristina de Moraes Roso Mesquita, Saulo Fehelberg Pinto Braga, Glaucius Oliva, Rafaela Salgado Ferreira, Kelly Ishida, M.V.B. Dias · 2023 · Bioorganic Chemistry
73. FragMAX Facility for Crystallographic Fragment and Ligand Screening at MAX IV
    Sandesh Kanchugal P, Elmir Jagudin, G.M.A. Lima, V. Talibov, Afshan Begum, Jie Nan, Mikel Eguiraun, Ana M. Gonzalez, Céleste Sèle, Maria Nyblom et al. · 2025 · Applied Research
74. Empowering research in chemical biology and early drug discovery – an update from the European research infrastructure EU-OPENSCREEN
    Robert K. Harmel, Tanja Miletić, Katja Herzog, Bahne Stechmann · 2025 · SLAS DISCOVERY
75. Transforming Small-Molecule Nanoaggregation into Functional Drug Delivery Platforms
    Junhyuk Kim, Arun Dattatray Kulthe, Su Jeong Park, Vinit Raj, Woo Ram Lee, Satish Balasaheb Nimse · 2025 · Journal of Medicinal Chemistry
76. In Silicon Approach for Discovery of Chemopreventive Agents
    Jian Wang, Wei Li, Bo Wang, Baichun Hu, Hailun Jiang, Bate Lai, Ning Li, Maosheng Cheng · 2017 · Current Pharmacology Reports
77. Targeting the Class A Carbapenemase GES-5 via Virtual Screening
    Raphael Klein, Laura Cendron, Martina Montanari, Pierangelo Bellio, Giuseppe Celenza, Lorenzo Maso, Donatella Tondi, Ruth Brenk · 2020 · Biomolecules
78. Structures of the Plasmodium falciparum heat-shock protein 70-x ATPase domain in complex with chemical fragments identify conserved and unique binding sites
    Nada Mohamad, Ailsa O'Donoghue, Anastassia L. Kantsadi, Ioannis Vakonakis · 2021 · Acta Crystallographica Section F Structural Biology Communications
79. Fragment-Based and Structural Investigation for Discovery of JNK3 Inhibitors
    Men Thi Hoai Duong, Hee‐Chul Ahn · 2022 · Pharmaceutics
80. Analytical assays to evaluate enzymatic activity and screening of inhibitors for ornithine decarboxylase
    Luzineide W. Tinoco, Bruno Maia da Silva Santos, Jhones Matheus da Silva Soares, Fernanda G. Finelli · 2022 · Frontiers in Analytical Science
81. Going Small: Using Biophysical Screening to Implement Fragment Based Drug Discovery
    John J. Bowling, William R. Shadrick, Elizabeth C. Griffith, Richard E. Lee Jr. · 2016 · InTech eBooks
82. Using tert -Butyl Groups in a Ligand To Identify Its Binding Site on a Protein
    Wan‐Na Chen, Gottfried Otting · 2018 · ACS Medicinal Chemistry Letters
83. Comprehensive and High‐Throughput Exploration of Chemical Space Using Broadband 19F NMR‐Based Screening
    Andreas Lingel, Anna Vulpetti, Tony Reinsperger, Andrew Proudfoot, Régis Denay, Alexandra Frommlet, Christelle Henry, Ulrich Hommel, Alvar D. Gossert, Burkhard Luy et al. · 2020 · Angewandte Chemie
84. Computational fragment-based design of Wee1 kinase inhibitors with tricyclic core scaffolds
    Maaged Abdullah, Lalitha Guruprasad · 2018 · Structural Chemistry
85. The Evolving Role of Structural Biology in Drug Discovery
    Jean‐Paul Renaud · 2020
86. Identifying novel chemical matter against the Chikungunya virus nsP3 macrodomain through crystallographic fragment screening
    Jasmin Cara Aschenbrenner, Andre Schutzer Godoy, M. Fairhead, Charles W.E. Tomlinson, Max Winokan, Blake H. Balcomb, Eda Çapkın, Anu V. Chandran, Mathew Golding, L. Koekemoer et al. · 2024 · bioRxiv (Cold Spring Harbor Laboratory)
87. Utilizing Omics Technologies and Machine Learning to Improve Predictive Toxicology
    Ahrum Son, Jongham Park, Woojin Kim, Yoonki Yoon, Songwoon Lee, Hyunsoo Kim · 2024 · Preprints.org
88. The discovery of a new uncompetitive inhibitor of nucleoside hydrolase from Leishmania donovani
    Marina Amaral Alves, Thamires Rocco Machado, Luis Gabriel Valdivieso Gelves, Renata Barbosa Lacerda, Rosemberg O. Soares, Pedro G. Pascutti, Carlos Maurício R. Sant’Anna, François Noël, Fanny Nascimento Costa, Fábio Furlan Ferreira et al. · 2025 · Bioorganic Chemistry
89. Covalent ligand efficiency
    György G. Ferenczy, György Miklós Keserű · 2025 · Drug Discovery Today
90. Crystal structure of fatty acid thioesterase A bound by 129 fragments provides diverse development opportunities
    Ekaterina Kot, Matteo Paolo Ferla, Patricia Helen Hollinshead, Charles W.E. Tomlinson, D. Fearon, Jasmin Cara Aschenbrenner, L. Koekemoer, Max Winokan, M. Fairhead, Xiaomin Ni et al. · 2025 · Pest Management Science
91. Enabling the Identification of Dopamine Receptor Ligands from Complex Matrices Using a Cyclic Tetrapeptide
    Hongyu Wen, Zhisheng Lai, Jinhui Wang, Minhui Shen, Xiaoru Peng, Wei Lin, Wei Ting Xia, Yu‐Xin Ye, Jianqiao Xu, Gangfeng Ouyang · 2025 · Analytical Chemistry
92. Boosting Drug Discovery: Expanding the Applicability of Fragment Dissolved Molecular Dynamics to Accelerate Binding Mode Elucidation
    Maria Nuria Peralta-Moreno, José M. Granadino‐Roldán, María Santos Tomás Belenguer, J. Rubio · 2025 · Journal of Chemical Information and Modeling
93. Analyses of Recent Hit-Finding Campaigns for Difficult Targets Provides Guidance for Informed Integrated Hit Discovery
    Christian M. Gampe, Bigna Wörsdörfer, Ge Zou, Antonio Ricci · 2026 · ACS Medicinal Chemistry Letters
94. Mechanisms of inflammatory bowel diseases: Insights from human genetics and chemical biology
    Daniel B. Graham, Ramnik J. Xavier · 2026 · Immunity
95. Crystal structure and functional characterization of SF 216 from Shigella flexneri
    Ha‐Neul Kim, Seung‐Hyeon Seok, Yoo‐Sup Lee, Hyung‐Sik Won, Min‐Duk Seo · 2017 · FEBS Letters
96. Recent Development in Small Molecules for SARS-CoV-2 and the Opportunity for Fragment-Based Drug Discovery
    Sujit Mahato · 2022 · Medicinal Chemistry
97. FGDB: a comprehensive graph database of ligand fragments from the Protein Data Bank
    Daniele Toti, Gabriele Macari, Enrico Barbierato, Fabio Polticelli · 2022 · Database
98. Identification of BACE-1 inhibitors through directed C(sp 3 )–H activation on 5-oxo-pyrrolidine-3-carboxylic acid derivatives
    Lorenzo Baldini, Elena Lenci, Cristina Faggi, Andrea Trabocchi · 2024 · Organic & Biomolecular Chemistry
99. Bibliometrics Analysis and Knowledge Mapping of Fragment-Based Drug Design Research: Trends from 2015 to 2024
    Chenming He, Jirong Zhang, Runze Zhang, Liang Liu, Jielian Luo, Wen Zhang, Bangjiang Fang · 2025 · Drug Design Development and Therapy
100. Fragment-Based Development of Small Molecule Inhibitors Targeting Mycobacterium tuberculosis Cholesterol Metabolism
     Madeline E. Kavanagh, Kirsty J. McLean, Sophie H. Gilbert, Cecilia N. Amadi, M. Snee, Richard B. Tunnicliffe, Kriti Arora, Helena I. Boshoff, Alexander Fanourakis, María José Rebollo-López et al. · 2025 · Journal of Medicinal Chemistry