Focused On-demand Library for Serine/threonine-protein kinase Sgk1

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.

We employ our advanced, specialised process to create targeted 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

O00141

UPID:

SGK1_HUMAN

Alternative names:

Serum/glucocorticoid-regulated kinase 1

Alternative UPACC:

O00141; B7UUP7; B7UUP8; B7UUP9; B7Z5B2; E1P583; Q5TCN2; Q5TCN3; Q5TCN4; Q5VY65; Q9UN56

Background:

Serine/threonine-protein kinase Sgk1, also known as Serum/glucocorticoid-regulated kinase 1, plays a pivotal role in regulating ion channels, membrane transporters, and various cellular processes including growth, survival, and apoptosis. It is crucial in the stress response and affects renal Na(+) retention, K(+) elimination, and insulin-dependent blood pressure regulation. Sgk1's influence extends to enhancing the stability and expression of Na(+) channels and regulating calcium entry through phosphorylation of key proteins.

Therapeutic significance:

Understanding the role of Serine/threonine-protein kinase Sgk1 could open doors to potential therapeutic strategies. Its involvement in a wide array of cellular functions and regulatory mechanisms positions it as a key target for drug discovery efforts aimed at addressing disorders related to ion channel dysregulation and cellular stress responses.