AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for 85/88 kDa calcium-independent phospholipase A2

Available from Reaxense
Predicted by Alphafold

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.

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 method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

O60733

UPID:

PLPL9_HUMAN

Alternative names:

2-lysophosphatidylcholine acylhydrolase; Group VI phospholipase A2; Intracellular membrane-associated calcium-independent phospholipase A2 beta; Palmitoyl-CoA hydrolase; Patatin-like phospholipase domain-containing protein 9

Alternative UPACC:

O60733; A8K597; B0QYE8; O75645; Q8N452; Q9UG29; Q9UIT0; Q9Y671

Background:

The 85/88 kDa calcium-independent phospholipase A2, also known as Group VI phospholipase A2, plays a crucial role in cellular processes by remodeling phospholipids, maintaining mitochondrial integrity, and participating in signal transduction. It exhibits phospholipase A1 and A2 activities, targeting various glycerophospholipids and generating lysophospholipids. This protein is involved in the repair mechanism to reduce oxidized lipid content in pancreatic beta cells and regulates membrane dynamics and homeostasis.

Therapeutic significance:

This protein's involvement in neurodegenerative disorders such as Neurodegeneration with brain iron accumulation 2A and 2B, and Parkinson disease 14, highlights its potential as a target for therapeutic intervention. Understanding the role of 85/88 kDa calcium-independent phospholipase A2 could open doors to potential therapeutic strategies for these debilitating conditions.

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