Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 employ our advanced, specialised process to create targeted 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 stands out due to several important features:
partner
Reaxense
upacc
O95747
UPID:
OXSR1_HUMAN
Alternative names:
Oxidative stress-responsive 1 protein
Alternative UPACC:
O95747; Q3LR53; Q7Z501; Q9UPQ1
Background:
Serine/threonine-protein kinase OSR1, also known as Oxidative stress-responsive 1 protein, plays a pivotal role in the WNK-SPAK/OSR1 kinase cascade. It is crucial for ion transport, response to hypertonic stress, and blood pressure regulation. OSR1 specifically binds proteins with a RFXV motif and acts downstream of WNK kinases to phosphorylate various ion cotransporters, thereby regulating their activity. It also influences regulatory volume increase under hyperosmotic stress and plays a role in NaCl reabsorption in the kidney.
Therapeutic significance:
Understanding the role of Serine/threonine-protein kinase OSR1 could open doors to potential therapeutic strategies.