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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library distinguishes itself through several key aspects:
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.