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 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.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
P09543
UPID:
CN37_HUMAN
Alternative names:
-
Alternative UPACC:
P09543
Background:
2',3'-cyclic-nucleotide 3'-phosphodiesterase, a pivotal enzyme in central nervous system myelin, plays a crucial role in RNA metabolism within myelinating cells. Its activity catalyzes the transformation of 2',3'-cyclic substrates into 2'-nucleotide products, underscoring its significance in cellular processes.
Therapeutic significance:
The enzyme's dysfunction is linked to Leukodystrophy, hypomyelinating, 20, a severe neurological disorder marked by neuroregression and loss of motor and cognitive skills. Understanding the role of 2',3'-cyclic-nucleotide 3'-phosphodiesterase could unveil new therapeutic strategies for this debilitating condition.