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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

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.