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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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.
Our top-notch dedicated system is used to design specialised 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q96C36
UPID:
P5CR2_HUMAN
Alternative names:
-
Alternative UPACC:
Q96C36; A8K798; Q7Z515; Q9Y5J4
Background:
Pyrroline-5-carboxylate reductase 2 is a pivotal enzyme in proline biosynthesis, catalyzing the conversion to proline, essential for cellular functions. It exhibits a preference for NADP but shows higher catalytic efficiency with NADH, playing a crucial role in the cellular response to oxidative stress.
Therapeutic significance:
Linked to Leukodystrophy, hypomyelinating, 10, a severe neurologic disorder, understanding Pyrroline-5-carboxylate reductase 2's role could unveil new therapeutic strategies, highlighting its importance in disease mechanisms.