Focused On-demand Library for Cytosolic phospholipase A2

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by Reaxense.


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.


 

Fig. 1. The screening 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.


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
Receptor.AI
 
UPACC
P47712

UPID:
PA24A_HUMAN

ALTERNATIVE NAMES:
Phospholipase A2 group IVA

ALTERNATIVE UPACC:
P47712; B1AKG4; Q29R80

BACKGROUND:
Cytosolic phospholipase A2, bearing the alternative name Phospholipase A2 group IVA, is integral to the production of lipid mediators in the inflammatory response. It uniquely targets the sn-2 arachidonoyl group in membrane phospholipids, facilitating the biosynthesis of eicosanoids through the cyclooxygenase pathway. Its role extends beyond inflammation, contributing to critical reproductive functions such as embryo implantation.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Cytosolic phospholipase A2 could open doors to potential therapeutic strategies. Its direct link to the disease 'Gastrointestinal ulceration, recurrent, with dysfunctional platelets' highlights its potential as a therapeutic target. By influencing eicosanoid synthesis and inflammatory pathways, interventions targeting this enzyme could provide relief for patients suffering from this debilitating condition.

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