Twenty years on: the impact of fragments on drug discovery
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Summary
How to design fragment libraries, how to select screening techniques and how to make the most of information gleaned from them are discussed, and how concepts from FBDD have permeated and enhanced drug discovery efforts are shown.
- Type
- review
- Published
- 2016-07-15
- Cited by
- 811
- References
- 123
- OpenAlex
- https://openalex.org/W2467779447
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:19634793
Keywords
Drug discovery, Pharmaceutical industry, Pharmacology, Data science, Computer science
References
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- Selectivity of kinase inhibitor fragments.
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- Expanding medicinal chemistry space.
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- Small and colorful stones make beautiful mosaics: fragment-based chemogenomics.
- Vemurafenib: the first drug approved for BRAF-mutant cancer
- A three-stage biophysical screening cascade for fragment-based drug discovery
- Small molecule binding sites on the Ras:SOS complex can be exploited for inhibition of Ras activation.
- Fragment-based hit identification: thinking in 3D.
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- Identification of DNA primase inhibitors via a combined fragment-based and virtual screening
- Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space.
- Enabling STD-NMR fragment screening using stabilized native GPCR: A case study of adenosine receptor
- Where Do Recent Small Molecule Clinical Development Candidates Come From?
- Ligand-Based Fluorine NMR Screening: Principles and Applications in Drug Discovery Projects.
- A Guide to Run Affinity Screens Using Differential Scanning Fluorimetry and Surface Plasmon Resonance Assays.
- BCL-2 Protein Family Interaction Analysis by Nuclear Magnetic Resonance Spectroscopy
- Design, synthesis and algicides activities of thiourea derivatives as the novel scaffold aldolase inhibitors.
- Paramagnetic NMR in drug discovery
- Peptide Nucleic Acids: Methods and Protocols
- Understanding and targeting the C-terminal Binding Protein (CtBP) substrate-binding domain for cancer therapeutic development
- A new 'golden age' for the antitubercular target InhA.
- Current status and future prospects for enabling chemistry technology in the drug discovery process
- Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange
- Targeting tuberculosis using structure-guided fragment-based drug design.
- Determination of ligand binding modes in weak protein–ligand complexes using sparse NMR data
- Antimalarial drug discovery targeting apical membrane antigen 1.
- Induced protein degradation: an emerging drug discovery paradigm
- Binding thermodynamics discriminates fragments from druglike compounds: a thermodynamic description of fragment-based drug discovery.
- Construction of a 3D-shaped, natural product like fragment library by fragmentation and diversification of natural products.
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