AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Patatin-like phospholipase domain-containing protein 4

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

Our top-notch dedicated system is used to design specialised 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.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P41247

UPID:

PLPL4_HUMAN

Alternative names:

Calcium-independent phospholipase A2-eta; Protein GS2

Alternative UPACC:

P41247; A8K1H3; B4E362; Q8WW83

Background:

Patatin-like phospholipase domain-containing protein 4, also known as Calcium-independent phospholipase A2-eta and Protein GS2, is encoded by the gene symbol P41247. It exhibits significant triacylglycerol lipase activity, crucial for transferring fatty acids from triglyceride to retinol, hydrolyzing retinylesters, and generating 1,3-diacylglycerol from triglycerides. This protein also demonstrates acylglycerol transacylase and phospholipase A2 activities, playing a pivotal role in lipid metabolism.

Therapeutic significance:

Understanding the role of Patatin-like phospholipase domain-containing protein 4 could open doors to potential therapeutic strategies.

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