Decisive role of water and protein dynamics in residence time of p38α MAP kinase inhibitors

Tatu Pantsar, Philipp D. Kaiser, Mark Kudolo, +3

Nature Communications

Pyridinylimidazoles as dual glycogen synthase kinase 3β/p38α mitogen-activated protein kinase inhibitors

Fabian Heider, Francesco Ansideri, Roberta Tesch, +8

European Journal of Medicinal Chemistry

Molecular PharmacologyBiochemistryMedicineNatural SciencesMechanism Of Action +7

Structural Optimization of a Pyridinylimidazole Scaffold: Shifting the Selectivity from p38α Mitogen-Activated Protein Kinase to c-Jun N-Terminal Kinase 3

Francesco Ansideri, Joana Tavares Macedo, Michael Eitel, +9

ACS Omega

Selective targeting of the αC and DFG-out pocket in p38 MAPK

Sandra Röhm, Martin Schröder, Jessica Dwyer, +11

European Journal of Medicinal Chemistry

Dfg-out PocketMolecular PharmacologyMedicineMolecular BiologySelective Targeting +3

Gefitinib-Tamoxifen Hybrid Ligands as Potent Agents against Triple-Negative Breast Cancer

Carine M. Abdelmalek, Zexi Hu, Thales Kronenberger, +10

Journal of Medicinal Chemistry

Development of the First Covalent Monopolar Spindle Kinase 1 (MPS1/TTK) Inhibitor

Ricardo A. M. Serafim, André da Silva Santiago, Martin P. Schwalm, +13

Journal of Medicinal Chemistry

Fast Iterative Synthetic Approach toward Identification of Novel Highly Selective p38 MAP Kinase Inhibitors

Sandra Röhm, Benedict‐Tilman Berger, Martin Schröder, +10

Journal of Medicinal Chemistry

Discovery of potent p38α MAPK inhibitors through a funnel like workflow combining in silico screening and in vitro validation

Andrea Astolfi, Mark Kudolo, José Brea, +14

European Journal of Medicinal Chemistry

Silico ScreeningDrug TargetMedicineRational Drug DesignVitro Validation +7

Discovery of a Potent and Highly Isoform-Selective Inhibitor of the Neglected Ribosomal Protein S6 Kinase Beta 2 (S6K2)

Stefan Gerstenecker, Lisa Haarer, Martin Schröder, +8

Cancers

Bioisosteric Replacement of Arylamide-Linked Spine Residues with <i>N</i>-Acylhydrazones and Selenophenes as a Design Strategy to Novel Dibenzosuberone Derivatives as Type I 1/2 p38α MAP Kinase Inhibitors

Júlia G. B. Pedreira, Philipp Nahidino, Mark Kudolo, +6

Journal of Medicinal Chemistry