Focused On-demand Library for Patatin-like phospholipase domain-containing protein 6

Details

Focused On-demand Libraries - Receptor.AI 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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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 employ our advanced, specialised process to create 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.


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
Q8IY17

UPID:
PLPL6_HUMAN

ALTERNATIVE NAMES:
Neuropathy target esterase

ALTERNATIVE UPACC:
Q8IY17; A6NGQ0; B4DFB9; B7Z7T2; F5H5K9; J3KQS3; O60859; Q86W58; Q9UG58

BACKGROUND:
Neuropathy target esterase, with its alternative name Patatin-like phospholipase domain-containing protein 6, is essential for lipid homeostasis through its phospholipase B activity. It specifically targets intracellular phosphatidylcholine, leading to the production of glycerophosphocholine, a critical step in lipid metabolism.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Patatin-like phospholipase domain-containing protein 6 could open doors to potential therapeutic strategies. Its involvement in diseases such as Spastic paraplegia 39, autosomal recessive, and other neurodegenerative syndromes, positions it as a significant target for drug discovery efforts aimed at alleviating these debilitating conditions.

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