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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q6UWV6
UPID:
ENPP7_HUMAN
Alternative names:
Alkaline sphingomyelin phosphodiesterase; Intestinal alkaline sphingomyelinase
Alternative UPACC:
Q6UWV6; Q6ZTS5; Q8IUS8
Background:
Ectonucleotide pyrophosphatase/phosphodiesterase family member 7, also known as Alkaline sphingomyelin phosphodiesterase and Intestinal alkaline sphingomyelinase, plays a crucial role in sphingomyelin digestion and ceramide formation. This protein is pivotal in fatty acid absorption within the gastrointestinal tract, by hydrolyzing sphingomyelin to release ceramide and phosphocholine. Its activity extends to phospholipase C, capable of cleaving phosphocholine from various substrates, thereby inactivating platelet-activating factor.
Therapeutic significance:
Understanding the role of Ectonucleotide pyrophosphatase/phosphodiesterase family member 7 could open doors to potential therapeutic strategies.