Focused On-demand Library for Lipase member H

Focused On-demand Libraries - Reaxense Collaboration

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.

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 top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

Q8WWY8

UPID:

LIPH_HUMAN

Alternative names:

LPD lipase-related protein; Membrane-associated phosphatidic acid-selective phospholipase A1-alpha; Phospholipase A1 member B

Alternative UPACC:

Q8WWY8; A2IBA7; Q8TEC7

Background:

Lipase member H, also known as LPD lipase-related protein, plays a crucial role in lipid metabolism by hydrolyzing phosphatidic acid (PA) to produce lysophosphatidic acid (LPA) and fatty acid. Unlike other phospholipases, it specifically targets PA without affecting phosphatidylserine, phosphatidylcholine, phosphatidylethanolamine, or triacylglycerol.

Therapeutic significance:

Lipase member H is implicated in Hypotrichosis 7 and Woolly hair autosomal recessive 2, conditions affecting hair density and texture. Understanding its role could lead to novel treatments for these hair disorders, showcasing the therapeutic potential of targeting lipid metabolism pathways.