Focused On-demand Library for Adenosine 5'-monophosphoramidase HINT2

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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


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
Q9BX68

UPID:
HINT2_HUMAN

ALTERNATIVE NAMES:
HINT-3; HIT-17kDa; Histidine triad nucleotide-binding protein 2, mitochondrial; PKCI-1-related HIT protein

ALTERNATIVE UPACC:
Q9BX68; Q5TCW3

BACKGROUND:
The mitochondrial protein Adenosine 5'-monophosphoramidase HINT2, known alternatively as HINT-3, HIT-17kDa, and PKCI-1-related HIT protein, exhibits adenosine 5'-monophosphoramidase activity. It plays a critical role in the hydrolysis of purine nucleotide phosphoramidates, including adenosine 5'monophosphoramidate and adenosine 5'-O-p-nitrophenylphosphoramidate, to produce AMP and NH2. Additionally, it is capable of hydrolyzing fluorogenic purine nucleoside tryptamine phosphoramidates in vitro, indicating its versatile enzymatic function.

THERAPEUTIC SIGNIFICANCE:
The exploration of Adenosine 5'-monophosphoramidase HINT2's function offers a promising avenue for therapeutic intervention. Given its involvement in steroid biosynthesis and apoptosis, this protein could be a key target in developing treatments for diseases where these processes are.

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