Focused On-demand Library for Protein N-terminal glutamine amidohydrolase

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.


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


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
Q96HA8

UPID:
NTAQ1_HUMAN

ALTERNATIVE NAMES:
Protein NH2-terminal glutamine deamidase; WDYHV motif-containing protein 1

ALTERNATIVE UPACC:
Q96HA8; B4DE68; Q9NW95

BACKGROUND:
The enzyme Protein N-terminal glutamine amidohydrolase, with alternative names such as Protein NH2-terminal glutamine deamidase, is pivotal in the N-end rule pathway of protein degradation. It facilitates the conversion of N-terminal glutamine to glutamate, rendering proteins ready for arginylation and subsequent degradation. Its activity is highly specific, not affecting acetylated N-terminal glutamine or non-glutamine residues, underscoring its selective role in protein turnover.

THERAPEUTIC SIGNIFICANCE:
Exploring the function of Protein N-terminal glutamine amidohydrolase offers a promising avenue for the development of novel therapeutic approaches.

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