Design, Synthesis, and Biological Evaluation of Novel Tri- and Tetrasubstituted Imidazoles as Highly Potent and Specific ATP-Mimetic Inhibitors of p38 MAP Kinase: Focus on Optimized Interactions with the Enzyme’s Surface-Exposed Front Region

Journal of Medicinal Chemistry
2008.0

Abstract

The synthesis, biological testing, and SAR of novel 2,4,5- and 1,2,4,5-substituted 2-thioimidazoles are described. Amino, oxy, or thioxy substituents at the 2-position of the pyridinyl moiety were evaluated for their contributions to inhibitor potency and selectivity against p38 mitogen activated protein kinase (p38 MAPK) as well as for the ability to minimize cytochrome P450 (CYP450) inhibition. Incorporation of polar substituted (cyclo)aliphatic amino substituents (e.g., tetrahydropyranylamino), which positively interacted with the surface-exposed front region (hydrophobic region II) of the enzyme led to the identification of extremely potent p38 MAPK inhibitors with p38 IC 50 values in the low nanomolar range. Approximately 90 pyridinylimidazole-based compounds with a range of potencies against p38alpha MAP kinase were further investigated for their ability to inhibit the release of tumor necrosis factor-alpha (TNFalpha) and/or interleukin-1beta (IL-1beta) from human whole blood. Some of the most promising drug candidates underwent selectivity profiling against a panel of 17 different kinases besides p38alpha and/or were tested for their interaction potential toward a number of metabolically relevant CYP450 isozymes.

Knowledge Graph

Similar Paper

Design, Synthesis, and Biological Evaluation of Novel Tri- and Tetrasubstituted Imidazoles as Highly Potent and Specific ATP-Mimetic Inhibitors of p38 MAP Kinase: Focus on Optimized Interactions with the Enzyme’s Surface-Exposed Front Region
Journal of Medicinal Chemistry 2008.0
Novel Substituted Pyridinyl Imidazoles as Potent Anticytokine Agents with Low Activity against Hepatic Cytochrome P450 Enzymes
Journal of Medicinal Chemistry 2003.0
Design and Synthesis of Potent, Selective, and Orally Bioavailable Tetrasubstituted Imidazole Inhibitors of p38 Mitogen-Activated Protein Kinase
Journal of Medicinal Chemistry 1999.0
Tetrasubstituted Imidazole Inhibitors of Cytokine Release:  Probing Substituents in the N-1 Position
Journal of Medicinal Chemistry 2004.0
Unexpected Reaction of 2-Alkylsulfanylimidazoles to Imidazol-2-ones: Pyridinylimidazol-2-ones as Novel Potent p38α Mitogen-Activated Protein Kinase Inhibitors
Journal of Medicinal Chemistry 2010.0
Imidazole Inhibitors of Cytokine Release:  Probing Substituents in the 2 Position
Journal of Medicinal Chemistry 2002.0
Synthesis and biological evaluation of p38α kinase-targeting dialkynylimidazoles
Bioorganic & Medicinal Chemistry Letters 2009.0
Syntheses and structure–activity relationships for some triazolyl p38α MAPK inhibitors
Bioorganic & Medicinal Chemistry Letters 2014.0
Design, Synthesis, and Biological Evaluation of Novel Disubstituted Dibenzosuberones as Highly Potent and Selective Inhibitors of p38 Mitogen Activated Protein Kinase
Journal of Medicinal Chemistry 2012.0
Isoxazolone Based Inhibitors of p38 MAP Kinases
Journal of Medicinal Chemistry 2008.0