PXD062598-1

PXD062598 is an original dataset announced via ProteomeXchange.

Title	Native flow-induced dispersion analysis – mass spectrometry enables automated, multiplexed ligand screening from conventional, non-volatile buffers
Description	Native electrospray ionisation mass spectrometry has become an important method for the validation, and the discovery of noncovalent ligands for therapeutic targets. As a label-free method combining high sensitivity and chemical specificity, it is ideally suited for this application. However, the performance of the method is severely impacted by the presence of non-volatile buffers and salts, and there is a risk of ion suppression if a target protein is co-incubated with multiple candidate ligands. These factors, along with the fairly labour-intensive nature, required operator skill, and limited throughput of most implementations, represent significant obstacles to the widespread adoption of native mass spectrometry-based ligand discovery. Here, we demonstrate the combination of flow-induced dispersion analysis with native mass spectrometry for the screening of ligands for an E3 ligase and two kinases of pharmacological relevance. Importantly, this approach avoids ion suppression and formation of salt adducts without the need for offline desalting or buffer exchange, and each multiplexed measurement of a sample consisting of target protein and a mixture of more than 20 candidate ligands took only a few minutes. Because the method is largely automated, this screening technology represents a potentially important step toward making native mass spectrometry a mainstream biophysical technique in drug discovery.
HostingRepository	PRIDE
AnnounceDate	2025-07-10
AnnouncementXML	Submission_2025-07-10_00:42:52.799.xml
DigitalObjectIdentifier
ReviewLevel	Peer-reviewed dataset
DatasetOrigin	Original dataset
RepositorySupport	Unsupported dataset by repository
PrimarySubmitter	Jonathan Eisert
SpeciesList	scientific name: Homo sapiens (Human); NCBI TaxID: 9606;
ModificationList	No PTMs are included in the dataset
Instrument	Synapt MS

Revision	Datetime	Status	ChangeLog Entry
0	2025-04-04 03:43:23	ID requested
⏵ 1	2025-07-10 00:42:53	announced

10.1021/ACS.ANALCHEM.5C00696;

submitter keyword: FIDA, drug discovery, native mass spectrometry, LC-MS, Ion mobility

Prof. Frederik Lermyte
contact affiliation	Department of Chemistry, Clemens-Schöpf-Institute of Chemistry and Biochemistry, Technical University of Darmstadt, Peter-Grünberg-Strasse 4, 64287 Darmstadt, Germany
contact email	frederik.lermyte@tu-darmstadt.de
lab head
Jonathan Eisert
contact affiliation	Department of Chemistry, Clemens-Schöpf-Institute of Chemistry and Biochemistry, Technical University of Darmstadt, Peter-Grünberg-Strasse 4, 64287 Darmstadt, Germany
contact email	jonathan.eisert@tu-darmstadt.de
dataset submitter

Dataset FTP location NOTE: Most web browsers have now discontinued native support for FTP access within the browser window. But you can usually install another FTP app (we recommend FileZilla) and configure your browser to launch the external application when you click on this FTP link. Or otherwise, launch an app that supports FTP (like FileZilla) and use this address: ftp://ftp.pride.ebi.ac.uk/pride/data/archive/2025/07/PXD062598

PRIDE project URI

• PRIDE
  1. PXD062598
     1. Label: PRIDE project
     2. Name: Native flow-induced dispersion analysis – mass spectrometry enables automated, multiplexed ligand screening from conventional, non-volatile buffers