Focused On-demand Library for Mitogen-activated protein kinase 10

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P53779

UPID:

MK10_HUMAN

Alternative names:

MAP kinase p49 3F12; Stress-activated protein kinase 1b; Stress-activated protein kinase JNK3; c-Jun N-terminal kinase 3

Alternative UPACC:

P53779; A6NFS3; A6NG28; B3KQ94; Q15707; Q49AP1

Background:

Mitogen-activated protein kinase 10 (MAPK10), also known as c-Jun N-terminal kinase 3 (JNK3), plays a pivotal role in neuronal processes including proliferation, differentiation, migration, and apoptosis. It is activated through the SAP/JNK signaling pathway by extracellular stimuli such as cytokines or physical stress, leading to the phosphorylation of transcription factors like JUN and ATF2, thereby influencing AP-1 transcriptional activity. MAPK10's involvement extends to neuronal apoptosis regulation, amyloid-beta precursor protein signaling, neurite growth, and the circadian clock's photic regulation.

Therapeutic significance:

Understanding the role of Mitogen-activated protein kinase 10 could open doors to potential therapeutic strategies.