ArticlePhilosophical transactions. Series A, Mathematical, physical, and engineering sciences2019
Structure-guided fragment-based drug discovery at the synchrotron: screening binding sites and correlations with hotspot mapping.
Article in Philosophical transactions. Series A, Mathematical, physical, and engineering sciences, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 26 papers.
What it found
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Who cites it
26 citing papers in PubMed, 45 citations in OpenAlex.
- AXIS: a Lab-in-the-Loop machine learning approach for automated detection of macromolecular crystals.IUCrJ · 2026Article
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- High-throughput protein crystallography to empower natural product-based drug discovery.Acta crystallographica. Section F, Structural biology communications · 2025Article
- Similarity of drug targets to human microbiome metaproteome promotes pharmacological promiscuity.The pharmacogenomics journal · 2025Article
- Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.Nucleic acids research · 2023Article
- Fragment-Based Lead Discovery Strategies in Antimicrobial Drug Discovery.Antibiotics (Basel, Switzerland) · 2023Review
- Perspective: Structure determination of protein-ligand complexes at room temperature using X-ray diffraction approaches.Frontiers in molecular biosciences · 2023Article
- Jungfraujoch: hardware-accelerated data-acquisition system for kilohertz pixel-array X-ray detectors.Journal of synchrotron radiation · 2023Article
- Fragment-Based Drug Discovery against Mycobacteria: The Success and Challenges.International journal of molecular sciences · 2022Review
- Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase.Communications biology · 2022Article
- Group depositions to the Protein Data Bank need adequate presentation and different archiving protocol.Protein science : a publication of the Protein Society · 2022Article
- Management ofEuropean respiratory review : an official journal of the European Respiratory Society · 2022Review
- Development of Inhibitors of SAICAR Synthetase (PurC) fromACS infectious diseases · 2022Article
- Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.Nature communications · 2021Article
- Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification.Angewandte Chemie (International ed. in English) · 2021Article
- Kinase drug discovery 20 years after imatinib: progress and future directions.Nature reviews. Drug discovery · 2021Review
- IceBear: an intuitive and versatile web application for research-data tracking from crystallization experiment to PDB deposition.Acta crystallographica. Section D, Structural biology · 2021Article
- Diamond Light Source: contributions to SARS-CoV-2 biology and therapeutics.Biochemical and biophysical research communications · 2021Article
- A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway ofComputational and structural biotechnology journal · 2021Article
- Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.Nature communications · 2020Article
Corrections and comments
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Authors and funding
11 authors at 5 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Structure-guided drug discovery emerged in the 1970s and 1980s, stimulated by the three-dimensional structures of protein targets that became available, mainly through X-ray crystal structure analysis, assisted by the development of synchrotron radiation sources. Structures of known drugs or inhibitors were used to guide the development of leads. The growth of high-throughput screening during the late 1980s and the early 1990s in the pharmaceutical industry of chemical libraries of hundreds of thousands of compounds of molecular weight of approximately 500 Da was impressive but still explored only a tiny fraction of the chemical space of the predicted 10
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.