Focused On-demand Library for Asparagine synthetase [glutamine-hydrolyzing]

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.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


Our top-notch dedicated system is used to design specialised 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
P08243

UPID:
ASNS_HUMAN

ALTERNATIVE NAMES:
Cell cycle control protein TS11; Glutamine-dependent asparagine synthetase

ALTERNATIVE UPACC:
P08243; A4D1I8; B4DXZ1; B7ZAA9; D6W5R3; E9PCI3; E9PCX6; P08184; Q15666; Q549T9; Q96HD0

BACKGROUND:
The enzyme Asparagine synthetase [glutamine-hydrolyzing] is crucial for asparagine production, a process vital for protein synthesis and cellular function. Known alternatively as Cell cycle control protein TS11 and Glutamine-dependent asparagine synthetase, it underscores the enzyme's significance in cell cycle control and metabolic processes.

THERAPEUTIC SIGNIFICANCE:
Linked to Asparagine synthetase deficiency, a disorder marked by severe neurological impairments, the study of Asparagine synthetase's function and genetic variants offers a promising avenue for developing targeted treatments. Understanding the role of Asparagine synthetase could open doors to potential therapeutic strategies.

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