Focused On-demand Library for Phospholipase A2 group V

Details

Focused On-demand Libraries - Receptor.AI 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.


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.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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
Receptor.AI
 
UPACC
P39877

UPID:
PA2G5_HUMAN

ALTERNATIVE NAMES:
PLA2-10; Phosphatidylcholine 2-acylhydrolase 5

ALTERNATIVE UPACC:
P39877; Q8N435

BACKGROUND:
The protein Phospholipase A2 group V, with aliases PLA2-10 and Phosphatidylcholine 2-acylhydrolase 5, is crucial for extracellular phospholipid hydrolysis, releasing unsaturated fatty acids. This process is essential for macrophage M2 polarization, lipid remodeling, and generation of lipid mediators for pathogen clearance. PLA2G5 also plays a significant role in the immune system, enhancing phagocytosis, killing of fungi and bacteria, and contributing to the biosynthesis of inflammatory mediators.

THERAPEUTIC SIGNIFICANCE:
Given its role in Fleck retina, familial benign, and its extensive involvement in immune responses and lipid metabolism, PLA2G5 presents as a promising target for therapeutic intervention in various diseases, including inflammatory and immune-mediated conditions. Understanding the role of Phospholipase A2 group V could open doors to potential therapeutic strategies.

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