Herein we review all the currently available ATP-site and non-ATP-site ligands bound to p38α mitogen-activated protein kinase (MAPK) available in the RCSB Protein Data Bank (PDB). The co-crystallized inhibitors have been classified into different families according to their experimental binding mode and chemical structure, and the ligand-protein interactions are discussed using the most representative compounds. This systematic structural analysis could provide some take-home lessons for drug discovery programs aimed at the rational identification and optimization of new p38α MAPK inhibitors.

A Comprehensive Structural Overview of p38 Mitogen-Activated Protein Kinase in Complex with ATP-Site and Non-ATP-Site Binders

Astolfi, Andrea;Manfroni, Giuseppe;Cecchetti, Violetta;Barreca, Maria Letizia
2018

Abstract

Herein we review all the currently available ATP-site and non-ATP-site ligands bound to p38α mitogen-activated protein kinase (MAPK) available in the RCSB Protein Data Bank (PDB). The co-crystallized inhibitors have been classified into different families according to their experimental binding mode and chemical structure, and the ligand-protein interactions are discussed using the most representative compounds. This systematic structural analysis could provide some take-home lessons for drug discovery programs aimed at the rational identification and optimization of new p38α MAPK inhibitors.
2018
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11391/1423721
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