PXD040284

PXD040284 is an original dataset announced via ProteomeXchange.

Title	Experimental strategies to improve drug-target identification in mass spectrometry-based thermal stability assays
Description	Mass spectrometry (MS)-based thermal stability assays have recently emerged as one of the most promising solutions for the identification of protein-ligand interactions. Here, we have investigated eight combinations of several recently introduced MS-based advancements, including the Phase-Constrained Spectral Deconvolution Method, Field Asymmetric Ion Mobility Spectrometry, and the implementation of a carrier sample as improved MS-based acquisition approaches for thermal stability assays (iMAATSA). We used intact Jurkat cells treated with a commercially available MEK inhibitor, followed by heat treatment, to prepare a set of unfractionated isobarically-labeled proof-of-concept samples to compare the performance of eight different iMAATSAs. Finally, the best-performing iMAATSA was compared to a conventional approach and evaluated in a fractionation experiment. Improvements of up to 82% and 86% were demonstrated in protein identifications and high-quality melting curves, respectively, over the conventional approach in the proof-of-concept study, while an approximately 12% improvement in melting curve comparisons was achieved in the fractionation experiment.
HostingRepository	PRIDE
AnnounceDate	2023-11-14
AnnouncementXML	Submission_2023-11-14_08:47:44.751.xml
DigitalObjectIdentifier
ReviewLevel	Peer-reviewed dataset
DatasetOrigin	Original dataset
RepositorySupport	Unsupported dataset by repository
PrimarySubmitter	Clifford Phaneuf
SpeciesList	scientific name: Homo sapiens (Human); NCBI TaxID: 9606;
ModificationList	No PTMs are included in the dataset
Instrument	Q Exactive HF

Revision	Datetime	Status	ChangeLog Entry
0	2023-02-20 07:12:48	ID requested
1	2023-05-10 14:44:39	announced
⏵ 2	2023-11-14 08:47:47	announced	2023-11-14: Updated project metadata.

Phaneuf CG, Aizikov K, Grinfeld D, Kreutzmann A, Mourad D, Lange O, Dai D, Zhang B, Belenky A, Makarov AA, Ivanov AR, Experimental strategies to improve drug-target identification in mass spectrometry-based thermal stability assays. Commun Chem, 6(1):64(2023) [pubmed]

submitter keyword: CETSA, mass spectrometry, TPP, target identification, thermal stability assays, drug-protein interactions

Dr. Alexander R. Ivanov
contact affiliation	Northeastern University, 360 Huntington Ave., Boston, Massachusetts 02115, United StatesBarnett Institute of Chemical and Biological Analysis, Department of Chemistry and Chemical Biology,
contact email	a.ivanov@northeastern.edu
lab head
Clifford Phaneuf
contact affiliation	sanofi
contact email	clifford.phaneuf@sanofi.com
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/2023/05/PXD040284

PRIDE project URI

• PRIDE
  1. PXD040284
     1. Label: PRIDE project
     2. Name: Experimental strategies to improve drug-target identification in mass spectrometry-based thermal stability assays