Encounter and React: Computer-Guided Design of Covalent Inhibitors

Peter Man-Un Ung; Robert J DeVita; Avner Schlessinger

doi:10.1016/j.chembiol.2018.12.009

Encounter and React: Computer-Guided Design of Covalent Inhibitors

Cell Chem Biol. 2019 Jan 17;26(1):6-8. doi: 10.1016/j.chembiol.2018.12.009.

Authors

Peter Man-Un Ung¹, Robert J DeVita², Avner Schlessinger³

Affiliations

¹ Department of Pharmacological Sciences, Icahn School of Medicine at Mount Sinai, New York, NY 10029, USA.
² Department of Pharmacological Sciences, Icahn School of Medicine at Mount Sinai, New York, NY 10029, USA; Drug Discovery Institute, Icahn School of Medicine at Mount Sinai, New York, NY 10029, USA.
³ Department of Pharmacological Sciences, Icahn School of Medicine at Mount Sinai, New York, NY 10029, USA. Electronic address: avner.schlessinger@mssm.edu.

PMID: 30658111
DOI: 10.1016/j.chembiol.2018.12.009

Abstract

Covalent inhibitors can obtain optimal selectivity and extended residence time. In this issue of Cell Chemical Biology, Shraga et al. (2019) take a comprehensive computational and experimental approach to modulate the JNK-Jun pathway through design of MKK7 covalent inhibitors. This study highlights a promising and emerging strategy for therapeutic discovery.

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MeSH terms

JNK Mitogen-Activated Protein Kinases*
MAP Kinase Signaling System*

Substances

JNK Mitogen-Activated Protein Kinases