Focused On-demand Library for MAP/microtubule affinity-regulating kinase 3

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

P27448

UPID:

MARK3_HUMAN

Alternative names:

C-TAK1; Cdc25C-associated protein kinase 1; ELKL motif kinase 2; Protein kinase STK10; Ser/Thr protein kinase PAR-1; Serine/threonine-protein kinase p78

Alternative UPACC:

P27448; A0A0A0MQR8; A0A0A0MST9; A0A0A0MT23; O60219; Q86TT8; Q8TB41; Q8WX83; Q96RG1; Q9UMY9; Q9UN34

Background:

MAP/microtubule affinity-regulating kinase 3, known as MAP/microtubule affinity-regulating kinase 3, plays a pivotal role in cell cycle regulation and development. It phosphorylates key proteins such as microtubule-associated proteins MAP2 and MAP4, and the microtubule-associated protein MAPT/TAU. Its activity influences the localization and function of histone deacetylases, impacting gene expression and cell signaling pathways, notably the Hippo signaling pathway.

Therapeutic significance:

The involvement of MAP/microtubule affinity-regulating kinase 3 in visual impairment and progressive phthisis bulbi highlights its potential as a therapeutic target. Understanding the role of MAP/microtubule affinity-regulating kinase 3 could open doors to potential therapeutic strategies.