Focused On-demand Library for Aspartate beta-hydroxylase domain-containing protein 2

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.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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
Q6ICH7

UPID:
ASPH2_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q6ICH7; B2RCH3; Q7L0W3; Q9NSN3

BACKGROUND:
The Aspartate beta-hydroxylase domain-containing protein 2, with the unique identifier Q6ICH7, is characterized by its function as a 2-oxoglutarate-dependent dioxygenase. This enzymatic activity is essential for the hydroxylation of aspartate residues in proteins, a post-translational modification that influences protein stability and function.

THERAPEUTIC SIGNIFICANCE:
Exploring the enzymatic mechanisms of Aspartate beta-hydroxylase domain-containing protein 2 unveils new avenues for drug development. Given its role in post-translational modifications, targeting this protein could lead to innovative treatments that modulate protein interactions and functions, offering hope for diseases where such processes are dysregulated.

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