ReviewMolecules (Basel, Switzerland)2017
Solution NMR Spectroscopy in Target-Based Drug Discovery.
Review in Molecules (Basel, Switzerland), 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 22 papers.
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Who cites it
22 citing papers in PubMed.
- Advanced NMR Screening: Unveiling Bioactive Compounds in Complex Molecular Mixtures.ACS omega · 2025Review
- High-throughput investigation of macromolecular interactions for drug development using spectral shift technology.Biophysical reviews · 2025Review
- Perspectives on Applications ofMolecules (Basel, Switzerland) · 2024Review
- The importance of choosing the appropriate cholesterol quantification method: enzymatic assay versus gas chromatography.Journal of lipid research · 2024Article
- Computer- and NMR-Aided Design of Small-Molecule Inhibitors of the Hub1 Protein.Molecules (Basel, Switzerland) · 2022Article
- The current toolbox for APOBEC drug discovery.Trends in pharmacological sciences · 2022Review
- PSnpBind: a database of mutated binding site protein-ligand complexes constructed using a multithreaded virtual screening workflow.Journal of cheminformatics · 2022Article
- Review
- An update of label-free protein target identification methods for natural active products.Theranostics · 2022Review
- Dengue virus NS4B protein as a target for developing antivirals.Frontiers in cellular and infection microbiology · 2022Review
- Applications of Solution NMR in Drug Discovery.Molecules (Basel, Switzerland) · 2021Review
- Exploring the Ligand Preferences of the PHD1 Domain of Histone Demethylase KDM5A Reveals Tolerance for Modifications of the Q5 Residue of Histone 3.ACS chemical biology · 2021Article
- Review
- SystematicFrontiers in chemistry · 2021Article
- Elucidating the Molecular Interactions of Chemokine CCL2 Orthologs with Flavonoid Baicalin.ACS omega · 2020Article
- A Practical Perspective on the Roles of Solution NMR Spectroscopy in Drug Discovery.Molecules (Basel, Switzerland) · 2020Review
- Article
- Application of Fragment-Based Drug Discovery to Versatile Targets.Frontiers in molecular biosciences · 2020Review
- NMR spectroscopy in drug discovery and development: Evaluation of physico-chemical properties.ADMET & DMPK · 2019Review
- Ligand-observed NMR techniques to probe RNA-small molecule interactions.Methods in enzymology · 2019Article
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Authors and funding
2 authors.
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Abstract
Solution NMR spectroscopy is a powerful tool to study protein structures and dynamics under physiological conditions. This technique is particularly useful in target-based drug discovery projects as it provides protein-ligand binding information in solution. Accumulated studies have shown that NMR will play more and more important roles in multiple steps of the drug discovery process. In a fragment-based drug discovery process, ligand-observed and protein-observed NMR spectroscopy can be applied to screen fragments with low binding affinities. The screened fragments can be further optimized into drug-like molecules. In combination with other biophysical techniques, NMR will guide structure-based drug discovery. In this review, we describe the possible roles of NMR spectroscopy in drug discovery. We also illustrate the challenges encountered in the drug discovery process. We include several examples demonstrating the roles of NMR in target-based drug discoveries such as hit identification, ranking ligand binding affinities, and mapping the ligand binding site. We also speculate the possible roles of NMR in target engagement based on recent processes in in-cell NMR spectroscopy.
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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.