Focused On-demand Library for Phospholipase A and acyltransferase 4

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q9UL19

UPID:

PLAT4_HUMAN

Alternative names:

HRAS-like suppressor 4; RAR-responsive protein TIG3; Retinoic acid receptor responder protein 3; Retinoid-inducible gene 1 protein; Tazarotene-induced gene 3 protein

Alternative UPACC:

Q9UL19; B2R599; B4DDW2; E7ENZ7; O95200

Background:

Phospholipase A and acyltransferase 4, known by alternative names such as HRAS-like suppressor 4 and Tazarotene-induced gene 3 protein, plays a crucial role in lipid metabolism. It exhibits both phospholipase A1/2 and acyltransferase activities, catalyzing the calcium-independent release of fatty acids and the transfer of fatty acyl groups among glycerophospholipids. Its ability to act on various substrates highlights its versatility in cellular processes.

Therapeutic significance:

Understanding the role of Phospholipase A and acyltransferase 4 could open doors to potential therapeutic strategies. Its involvement in lipid metabolism and cellular processes makes it a promising target for drug discovery, aiming to modulate its activity for therapeutic benefits.