Related Experiment Video
Updated: Jun 22, 2026
09:19
NMR-Based Fragment Screening in a Minimum Sample but Maximum Automation Mode
Published on: June 4, 2021
Novel MK2 inhibitors by fragment screening
Oliver Keminer1, Joachim Kraemer, Jan Kahmann
1Evotec AG, Hamburg, Germany.
Combinatorial Chemistry & High Throughput Screening
|June 18, 2009
Summary
New MAPKAP kinase 2 (MK2) inhibitors offer a safer alternative to p38alpha inhibitors for treating inflammatory diseases. This study identifies novel chemical starting points for developing these promising MK2 inhibitors.
Area of Science:
- Biochemistry
- Medicinal Chemistry
- Pharmacology
Background:
- MAPKAP kinase 2 (MK2) is a key regulator in the p38alpha signaling pathway.
- p38alpha inhibitors face clinical development challenges due to toxic side effects.
- MK2 inhibitors present a potential therapeutic strategy for TNFalpha-mediated inflammatory conditions.
Purpose of the Study:
- To discover novel chemical starting points for the development of efficient MAPKAP kinase 2 (MK2) inhibitors.
- To explore MK2 inhibitors as a potentially safer alternative to p38alpha inhibitors for inflammatory diseases.
Main Methods:
- Fragment screening using physiologically relevant bioassays.
- Protein-observed NMR spectroscopy for fragment binding mode mapping.
- Structure-based drug design approaches.
Main Results:
- Identification of novel, efficient chemical starting points for MK2 inhibitors.
- Demonstration of fragment screening and NMR spectroscopy as effective tools for hit discovery.
- Characterization of fragment binding modes to guide further optimization.
Conclusions:
- Novel MK2 inhibitors hold therapeutic promise for inflammatory conditions like rheumatoid arthritis.
- Fragment-based drug discovery is a viable strategy for identifying potent MK2 inhibitors.
- MK2 inhibition represents a promising avenue for safer anti-inflammatory therapies.
