Discovery and visualization of uncharacterized drug-protein adducts using mass spectrometry.
M. Riffle, M. R. Hoopmann, D. Jaschob, G. Zhong, R. L. Moritz, M. J. MacCoss, T. N. Davis, N. Isoherranen, A. Zelter
The paper introduces Magnum, an algorithm for identifying drug-protein adducts, and Limelight, a tool for analyzing and visualizing adduct data, validated with CYP3A4 examples.
bioRxiv · Jun 24, 2021Pharmacology & Toxicology