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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Several key aspects differentiate our library:
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.