Focused On-demand Library for Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

We utilise our cutting-edge, exclusive workflow to develop focused 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

Q13822

UPID:

ENPP2_HUMAN

Alternative names:

Autotaxin; Extracellular lysophospholipase D

Alternative UPACC:

Q13822; A8UHA1; E9PHP7; Q13827; Q14555; Q15117; Q9UCQ8; Q9UCR0; Q9UCR1; Q9UCR2; Q9UCR3; Q9UCR4

Background:

Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, also known as Autotaxin or Extracellular lysophospholipase D, plays a pivotal role in the hydrolysis of lysophospholipids into lysophosphatidic acid (LPA), a key signaling molecule. This enzyme's major substrate is lysophosphatidylcholine. Beyond its enzymatic activity, it is involved in critical motility-related processes including angiogenesis, neurite outgrowth, and the stimulation of smooth muscle cell migration, contributing to microtubule formation. Autotaxin's ability to stimulate melanoma cell migration and its requirement for LPA production in activated platelets underscore its biological significance.

Therapeutic significance:

Understanding the role of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 could open doors to potential therapeutic strategies, particularly in the realms of cancer treatment, cardiovascular diseases, and wound healing processes.