Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9P289
UPID:
STK26_HUMAN
Alternative names:
MST3 and SOK1-related kinase; Mammalian STE20-like protein kinase 4; Serine/threonine-protein kinase MASK
Alternative UPACC:
Q9P289; B2RAU2; Q3ZB77; Q8NC04; Q9BXC3; Q9BXC4
Background:
Serine/threonine-protein kinase 26, also known as MST3 and SOK1-related kinase, Mammalian STE20-like protein kinase 4, and Serine/threonine-protein kinase MASK, plays a pivotal role in cell growth regulation and apoptosis modulation. It is involved in negative regulation of Golgi reorientation in polarized cell migration upon RHO activation and enhances autophagic flux through phosphorylation of ATG4B.
Therapeutic significance:
Understanding the role of Serine/threonine-protein kinase 26 could open doors to potential therapeutic strategies.