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.
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 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
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 stands out due to several important features:
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.