Focused On-demand Library for Patatin-like phospholipase domain-containing protein 2

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.

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

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q96AD5

UPID:

PLPL2_HUMAN

Alternative names:

Adipose triglyceride lipase; Calcium-independent phospholipase A2-zeta; Desnutrin; Pigment epithelium-derived factor receptor; TTS2.2; Transport-secretion protein 2

Alternative UPACC:

Q96AD5; O60643; Q5EFF5; Q6XYE5; Q96ET6; Q9NQ61; Q9NQ62

Background:

Patatin-like phospholipase domain-containing protein 2, also known as Adipose triglyceride lipase, plays a pivotal role in lipid metabolism. It catalyzes the initial step in triglyceride hydrolysis across various tissues, exhibiting a preference for long-chain fatty acid esters. This enzyme is integral to energy homeostasis, adiposome degradation, and response to starvation by providing free fatty acids for oxidation.

Therapeutic significance:

The protein's involvement in Neutral lipid storage disease with myopathy, a condition characterized by triglyceride accumulation due to impaired degradation, highlights its therapeutic potential. Targeting this protein could lead to novel treatments for lipid storage disorders, offering hope for patients lacking effective options.