ArticlePloS one2017
ITC-derived binding affinity may be biased due to titrant (nano)-aggregation. Binding of halogenated benzotriazoles to the catalytic domain of human protein kinase CK2.
Article in PloS one, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 18 papers.
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Who cites it
18 citing papers in PubMed, 38 citations in OpenAlex.
- Article
- Primary biomolecular adsorption energetics of core-shell nanocomplexes: Implications for biological interactions.Proceedings of the National Academy of Sciences of the United States of America · 2026Article
- Differential scanning fluorimetry followed by microscale thermophoresis and/or isothermal titration calorimetry as an efficient tool for ligand screening.Biophysical reviews · 2025Review
- Cap-related modifications of RNA regulate binding to IFIT proteins.RNA (New York, N.Y.) · 2024Article
- Effect of histidine protonation state on ligand binding at the ATP-binding site of human protein kinase CK2.Scientific reports · 2024Article
- Sequestration of histidine kinases by non-cognate response regulators establishes a threshold level of stimulation for bacterial two-component signaling.Nature communications · 2023Article
- Competition between electrostatic interactions and halogen bonding in the protein-ligand system: structural and thermodynamic studies of 5,6-dibromobenzotriazole-hCK2α complexes.Scientific reports · 2022Article
- Improvement of native structure-based peptides as efficient inhibitors of protein-protein interactions of SARS-CoV-2 spike protein and human ACE2.Frontiers in molecular biosciences · 2022Article
- 5,6-diiodo-1H-benzotriazole: new TBBt analogue that minutely affects mitochondrial activity.Scientific reports · 2021Article
- Insight into the Binding and Hydrolytic Preferences of hNudt16 Based on Nucleotide Diphosphate Substrates.International journal of molecular sciences · 2021Article
- Calmodulin as CaInternational journal of molecular sciences · 2021Article
- Synthesis of Novel Halogenated Heterocycles Based onMolecules (Basel, Switzerland) · 2021Article
- Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.The journal of physical chemistry. B · 2021Article
- Multivalency Enables Dynamic Supramolecular Host-Guest Hydrogel Formation.Biomacromolecules · 2020Article
- Primary and Secondary Binding of Exenatide to Liposomes.Biophysical journal · 2020Article
- Acetylation of Response Regulator Protein MtrA inFrontiers in microbiology · 2020Article
- Rational drug-design approach supported with thermodynamic studies - a peptide leader for the efficient bi-substrate inhibitor of protein kinase CK2.Scientific reports · 2019Article
- Tunable Self-Assembled Nanostructures of Electroactive PEGylated Tetra(Aniline) Based ABA Triblock Structures in Aqueous Medium.Frontiers in chemistry · 2019Article
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Authors and funding
3 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The binding of four bromobenzotriazoles to the catalytic subunit of human protein kinase CK2 was assessed by two complementary methods: Microscale Thermophoresis (MST) and Isothermal Titration Calorimetry (ITC). New algorithm proposed for the global analysis of MST pseudo-titration data enabled reliable determination of binding affinities for two distinct sites, a relatively strong one with the Kd of the order of 100 nM and a substantially weaker one (Kd > 1 μM). The affinities for the strong binding site determined for the same protein-ligand systems using ITC were in most cases approximately 10-fold underestimated. The discrepancy was assigned directly to the kinetics of ligand nano-aggregates decay occurring upon injection of the concentrated ligand solution to the protein sample. The binding affinities determined in the reverse ITC experiment, in which ligands were titrated with a concentrated protein solution, agreed with the MST-derived data. Our analysis suggests that some ITC-derived Kd values, routinely reported together with PDB structures of protein-ligand complexes, may be biased due to the uncontrolled ligand (nano)-aggregation, which may occur even substantially below the solubility limit.
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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.