Proteomics

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Complementary Backbone and Side-chain Analysis of Drug – Protein Interactions: Combining Hydrogen/Deuterium Exchange and Protein Oxidative Footprinting to Discriminate the Binding of Small Molecule Therapeutics

ABSTRACT: Characterizing and distinguishing protein-ligand interactions is crucial for understanding cellular metabolism and guiding drug discovery and development. We employ hydrogen/deuterium exchange mass spectrometry (HDX-MS) and a new Fenton chemistry-based approach to protein oxidative mass spectrometry (OX-MS) to provide complementary insight into the binding of the small molecule therapeutic Venetoclax (ABT-199, GDC-0199-Abbvie and Genentech) and a drug candidate S55746 (Servier) to the apoptotic regulatory protein Bcl-2. The combination of the orthogonal techniques HDX-MS and OX-MS clearly differentiate the binding profiles of the two drug molecules.

INSTRUMENT(S):

ORGANISM(S): Homo Sapiens (human)

SUBMITTER: Yan Sun  

LAB HEAD: Damian Houde

PROVIDER: PXD050663 | Pride | 2026-03-27

REPOSITORIES: Pride

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Dataset's files

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Action DRS
221019_BCL2_98_0sec_01.raw.zip Raw
221019_BCL2_98_0sec_01_IA_final_peptide.csv Csv
221019_BCL2_98_10sec_01.raw.zip Raw
221019_BCL2_98_14400sec_01.raw.zip Raw
221019_BCL2_98_3600sec_01.raw.zip Raw
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Publications

Hydrogen/Deuterium Exchange and Protein Oxidative Footprinting with Mass Spectrometry Collectively Discriminate the Binding of Small-Molecule Therapeutics to Bcl-2.

Sun Yan Y   Houde Damian D   Iacob Roxana E RE   Baird Jason J   Swift Robert V RV   Holliday Michael M   Shi Xuyan X   Sidoli Simone S   Brenowitz Michael M  

Analytical chemistry 20250219 8

Characterizing protein-ligand interactions is crucial to understanding cellular metabolism and guiding drug discovery and development. Herein, we explore complementing hydrogen/deuterium exchange mass spectrometry (HDX-MS) with a recently developed Fenton chemistry-based approach to protein oxidative footprinting mass spectrometry (OX-MS) to discriminate the binding of small-molecule therapeutics. Using drug-dependent perturbation as the experimental report, this combination of techniques more c  ...[more]

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