Focused On-demand Library for Phosphatidylserine decarboxylase proenzyme, mitochondrial

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.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are 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 use our state-of-the-art dedicated workflow for designing 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
Q9UG56

UPID:
PISD_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q9UG56; B1AKM7; O43207; O95535; Q6IC28; Q96GQ2; Q9UGA9

BACKGROUND:
Phosphatidylserine decarboxylase proenzyme, mitochondrial, is central to phospholipid metabolism, facilitating the formation of phosphatidylethanolamine from phosphatidylserine. Its function is essential for interorganelle phospholipid trafficking and possibly lipid droplet biogenesis, indicating its significance in cellular physiology.

THERAPEUTIC SIGNIFICANCE:
Given its association with Liberfarb syndrome, characterized by multisystem developmental anomalies, the study of Phosphatidylserine decarboxylase offers a promising avenue for therapeutic intervention. Its critical role in various cellular processes underscores the potential for targeted treatments.

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