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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q92484
UPID:
ASM3A_HUMAN
Alternative names:
-
Alternative UPACC:
Q92484; B7Z729; Q8WV13
Background:
Acid sphingomyelinase-like phosphodiesterase 3a exhibits in vitro nucleotide phosphodiesterase activity, efficiently hydrolyzing nucleoside triphosphates like ATP. It demonstrates specificity towards substrates, showing activity with p-nitrophenyl-TMP and CDP-choline, leading to the production of CMP and phosphocholine, while lacking activity with nucleoside monophosphates and sphingomyelin.
Therapeutic significance:
Understanding the role of Acid sphingomyelinase-like phosphodiesterase 3a could open doors to potential therapeutic strategies, offering insights into novel drug targets.