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Advancing Collision-Induced Affinity Selection Mass Spectrometry for Quantitative Ligand Analysis in Complex Mixtures.

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Τίτλος: Advancing Collision-Induced Affinity Selection Mass Spectrometry for Quantitative Ligand Analysis in Complex Mixtures.
Συγγραφείς: Xue X; Institute for Biomedicine and Glycomics, Griffith University, Southport, 4215 Gold Coast, Queensland, Australia., Quinn RJ; Institute for Biomedicine and Glycomics, Griffith University, Southport, 4215 Gold Coast, Queensland, Australia., Rehm BHA; Institute for Biomedicine and Glycomics, Griffith University, Southport, 4215 Gold Coast, Queensland, Australia.; Centre for Cell Factories and Biopolymers, Institute for Biomedicine and Glycomics, Griffith University, Southport, 4215 Gold Coast, Queensland, Australia., Day CJ; Institute for Biomedicine and Glycomics, Griffith University, Southport, 4215 Gold Coast, Queensland, Australia., Jennings MP; Institute for Biomedicine and Glycomics, Griffith University, Southport, 4215 Gold Coast, Queensland, Australia., McBroom J; School of Environment and Science, Griffith University, Nathan, 4111 Brisbane, Queensland, Australia., Littler DR; Infection and Immunity Program & Department of Biochemistry and Molecular Biology, Biomedicine Discovery Institute, Monash University, Clayton 3800, Victoria, Australia., Liu M; Institute for Biomedicine and Glycomics, Griffith University, Southport, 4215 Gold Coast, Queensland, Australia.; School of Environment and Science, Griffith University, Nathan, 4111 Brisbane, Queensland, Australia.
Πηγή: Analytical chemistry [Anal Chem] 2026 Mar 17; Vol. 98 (10), pp. 7247-7261. Date of Electronic Publication: 2026 Mar 03.
Τύπος έκδοσης: Journal Article; Research Support, Non-U.S. Gov't
Γλώσσα: English
Στοιχεία περιοδικού: Publisher: American Chemical Society Country of Publication: United States NLM ID: 0370536 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-6882 (Electronic) Linking ISSN: 00032700 NLM ISO Abbreviation: Anal Chem Subsets: MEDLINE
Imprint Name(s): Original Publication: Washington, American Chemical Society.
Ιατρικοί όροι (MeSH): Complex Mixtures*/chemistry , Complex Mixtures*/analysis , Mass Spectrometry*/methods , Proteins*/chemistry , Proteins*/metabolism, Spectrometry, Mass, Electrospray Ionization/methods ; Ligands
Περίληψη: Native mass spectrometry (MS) is a powerful technique for studying protein-ligand interactions in their native states by employing soft electrospray ionization (ESI). It enables the direct observation of all species in equilibrium within a solution. Building on these advantages, Collision-Induced Affinity Selection MS (CIAS-MS) was introduced as an alternative approach, incorporating quadrupole mass selection, controlled complex dissociation, and ligand detection to enhance the study of protein-ligand interactions. This method retains the native ionization properties of proteins while enabling high-sensitivity detection of released ligands. This study presents an optimized CIAS-MS platform for improved ligand binding detection and quantitative affinity ranking. The integration of both positive and negative ion modes significantly broadens the detection of structurally diverse ligands, overcoming biases from single-mode analysis. More importantly, the collision-induced dissociation (CID) slope, derived from dissociation curves, is introduced as a robust parameter for affinity ranking. Unlike absolute intensities or dissociation thresholds, the CID slope reflects solution-phase affinity order across ligands and remains accurate in highly complex backgrounds, including 100-compound mixtures and bacterial lysates. These advances highlight the robustness of CIAS-MS for detecting bound ligands and ranking their affinities even under challenging conditions where traditional native MS fails. These findings establish CIAS-MS as a scalable and efficient platform for high-throughput ligand discovery and proteome-wide target engagement studies, offering a powerful addition to the biophysical toolkit for modern drug discovery.
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Substance Nomenclature: 0 (Ligands)
0 (Complex Mixtures)
0 (Proteins)
Entry Date(s): Date Created: 20260303 Date Completed: 20260710 Latest Revision: 20260813
Update Code: 20260813
PubMed Central ID: PMC13000879
DOI: 10.1021/acs.analchem.5c06115
PMID: 41775340
Βάση Δεδομένων: MEDLINE
Περιγραφή
ISSN:1520-6882
DOI:10.1021/acs.analchem.5c06115