A Comprehensive Structural Overview of p38α Mitogen‐Activated Protein Kinase in Complex with ATP‐Site and Non‐ATP‐Site Binders |
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| Authors: | Andrea Astolfi Dr Giuseppe Manfroni Prof Violetta Cecchetti Prof Maria Letizia Barreca |
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| Affiliation: | Department of Pharmaceutical Sciences, University of Perugia, Perugia, Italy |
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| 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. |
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| Keywords: | crystal structures inhibitors kinases ligand– protein interactions p38α MAPK |
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