Focused On-demand Library for Ectonucleotide pyrophosphatase/phosphodiesterase family member 7

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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.

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:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

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.