Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our high-tech, dedicated method is applied to construct 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9HBY8
UPID:
SGK2_HUMAN
Alternative names:
Serum/glucocorticoid-regulated kinase 2
Alternative UPACC:
Q9HBY8; Q52PK5; Q5H8Y6; Q5H8Z1; Q5TZR3; Q9UKG6
Background:
Serine/threonine-protein kinase Sgk2, also known as Serum/glucocorticoid-regulated kinase 2, plays a pivotal role in regulating ion channels, membrane transporters, and cellular processes including growth, survival, and proliferation. It enhances the function of various Na(+) and K(+) channels, amino acid and glutamate transporters, glutamate receptors, the Na(+)/H(+) exchanger, and the Na(+)/K(+) ATPase.
Therapeutic significance:
Understanding the role of Serine/threonine-protein kinase Sgk2 could open doors to potential therapeutic strategies.