Mass spectrometry methods and mathematical PK/PD model for decision tree-guided covalent drug development

Abstract Covalent drug discovery efforts are growing rapidly but have major unaddressed limitations. These include high false positive rates during hit-to-lead identification; the inherent uncoupling of covalent drug concentration and effect [i.e., uncoupling of pharmacokinetics (PK) and pharmacodyn...

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Bibliographic Details

Published in:	Nature Communications
Main Authors:	Md Amin Hossain, Rutali R. Brahme, Brandon C. Miller, Jakal Amin, Marcela de Barros, Jaime L. Schneider, Jared R. Auclair, Carla Mattos, Qingping Wang, Nathalie Y. R. Agar, David J. Greenblatt, Roman Manetsch, Jeffrey N. Agar
Format:	Article
Language:	English
Published:	Nature Portfolio 2025-02-01
Online Access:	https://doi.org/10.1038/s41467-025-56985-6