Focused On-demand Library for 5'-nucleotidase domain-containing protein 1

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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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.


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
Q5TFE4

UPID:
NT5D1_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q5TFE4; B2RND9; B3KR35; Q6XYD5

BACKGROUND:
The protein known as 5'-nucleotidase domain-containing protein 1, with the unique identifier Q5TFE4, is integral to the regulation of nucleotide pools within cellular environments. Its enzymatic actions are essential for maintaining the balance of nucleotides, which are critical components for the synthesis of genetic material.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of 5'-nucleotidase domain-containing protein 1 offers a promising avenue for the development of novel therapeutic approaches. Given its key role in nucleotide metabolism, targeting this protein could lead to breakthroughs in treating conditions associated with nucleotide dysregulation.

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