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.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
Our top-notch dedicated system is used to design specialised 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.
Key features that set our library apart include:
partner
Reaxense
upacc
O14841
UPID:
OPLA_HUMAN
Alternative names:
5-oxo-L-prolinase; Pyroglutamase
Alternative UPACC:
O14841; A5PKY8; Q75W65; Q9Y4Q0
Background:
5-oxoprolinase, also known as Pyroglutamase, plays a crucial role in the metabolic pathway by catalyzing the conversion of 5-oxo-L-proline to L-glutamate. This reaction is essential for the hydrolysis of ATP to ADP and inorganic phosphate, highlighting its significance in cellular energy metabolism.
Therapeutic significance:
The protein is directly linked to 5-oxoprolinase deficiency, a disorder marked by calcium oxalate/carbonate urolithiasis and excessive urinary 5-oxo-L-proline. Understanding the role of 5-oxoprolinase could open doors to potential therapeutic strategies for this condition.