Focused On-demand Library for MAP kinase-interacting serine/threonine-protein kinase 2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

Q9HBH9

UPID:

MKNK2_HUMAN

Alternative names:

MAP kinase signal-integrating kinase 2

Alternative UPACC:

Q9HBH9; Q6GPI3; Q9HBH8; Q9UHR0; Q9Y2N6

Background:

MAP kinase-interacting serine/threonine-protein kinase 2, also known as MAP kinase signal-integrating kinase 2, plays a pivotal role in phosphorylating key proteins such as SFPQ/PSF, HNRNPA1, and EIF4E. This kinase is integral in responding to environmental stress and cytokines, regulating translation through EIF4E phosphorylation, and mediating anti-apoptotic signals.

Therapeutic significance:

Understanding the role of MAP kinase-interacting serine/threonine-protein kinase 2 could open doors to potential therapeutic strategies.