Focused On-demand Library for Serine/threonine-protein kinase Sgk3

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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 utilise our cutting-edge, exclusive workflow to develop focused 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.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q96BR1

UPID:

SGK3_HUMAN

Alternative names:

Cytokine-independent survival kinase; Serum/glucocorticoid-regulated kinase 3; Serum/glucocorticoid-regulated kinase-like

Alternative UPACC:

Q96BR1; A8K5W3; B3KQC2; Q9P1Q7; Q9UKG5

Background:

Serine/threonine-protein kinase Sgk3, also known as Cytokine-independent survival kinase and Serum/glucocorticoid-regulated kinase-like, plays a pivotal role in cellular processes. It regulates a wide array of ion channels, membrane transporters, and is crucial for cell growth, proliferation, survival, and migration. By up-regulating channels like SCNN1A/ENAC, SCN5A, and KCNA3/KV1.3, among others, it influences various physiological functions.

Therapeutic significance:

Understanding the role of Serine/threonine-protein kinase Sgk3 could open doors to potential therapeutic strategies. Its involvement in the regulation of critical cellular functions highlights its potential as a target for drug discovery, aiming to modulate cell growth, proliferation, and survival pathways.