Evidence map›Paper›PMID 39430314›Full record

ArticleACS pharmacology & translational science2024

Determination of Protein-Ligand Binding Affinities by Thermal Shift Assay.

Mohammad F Khan, Mohammad M Rahman, Yue Xin, Abdur Mustafa, Brian J Smith, Karen M Ottemann, Anna Roujeinikova

Abstract read
In one paragraph

Article in ACS pharmacology & translational science, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.

0numbers the graph read from it
0cells of the map it votes in
10citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

10 citing papers in PubMed.

  1. Article
  2. Cryo-EM reveals thatProceedings of the National Academy of Sciences of the United States of America · 2026
    Article
  3. Article
  4. Article
  5. Measuring Protein-Ligand Binding by Thermal Shift Assay.Methods in molecular biology (Clifton, N.J.) · 2026
    Article
  6. Article
  7. Article
  8. Article
  9. Article
  10. Review
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

7 authors.

Mohammad F KhanDepartment of Microbiology, Biomedicine Discovery Institute, Monash University, Melbourne, Victoria 3800, Australia.
Mohammad M RahmanDepartment of Microbiology, Biomedicine Discovery Institute, Monash University, Melbourne, Victoria 3800, Australia.
Yue XinDepartment of Microbiology, Biomedicine Discovery Institute, Monash University, Melbourne, Victoria 3800, Australia.
Abdur MustafaSchool of Computing, Mathematics and Engineering, Charles Sturt University, Albury, New South Wales 2678, Australia.
Brian J SmithLa Trobe Institute for Molecular Science, La Trobe University, Melbourne, Victoria 3086, Australia.ORCID https://orcid.org/0000-0003-0498-1910
Karen M OttemannDepartment of Microbiology and Environmental Toxicology, University of California Santa Cruz, Santa Cruz, California 95064, United States.
Anna RoujeinikovaDepartment of Microbiology, Biomedicine Discovery Institute, Monash University, Melbourne, Victoria 3800, Australia.ORCID https://orcid.org/0000-0001-8478-4751

Funding

The function of chemotactic signal transduction during colonization and diseaseR01AI116946 · NIAID · UNIVERSITY OF CALIFORNIA SANTA CRUZ · PI OTTEMANN, KAREN M · 2016 to 2025
$5.1M
NIAID NIH HHS R01 AI116946
6 · The paper itself

Abstract

Quantification of protein-ligand interactions is crucial for understanding the protein's biological function and for drug discovery. In this study, we employed three distinct approaches for determination of protein-ligand binding affinities by a thermal shift assay using a single ligand concentration. We present the results of the comparison of the performance of the conventional curve fitting (CF) method and two newly introduced methods - assuming zero heat capacity change across small temperature ranges (ZHC) and utilizing the unfolding equilibrium constant (UEC); the latter has the advantage of reducing calculations by obtaining the unfolding equilibrium constant directly from the experimental data. Our results highlight superior performance of the ZHC and UEC methods over the conventional CF method in estimating the binding affinity, irrespective of the ligand concentration. In addition, we evaluated how the new methods can be applied to high-throughput screening for potential binders, when the enthalpy (Δ

Identifiers

PMID39430314
PMCPMC11487536

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Registered trials

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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.