AI-ACCELERATED DRUG DISCOVERY

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

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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 our partner Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

 Fig. 1. The sreening 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.

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

Reaxense

upacc

Q96HA8

UPID:

NTAQ1_HUMAN

Alternative names:

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

Alternative UPACC:

Q96HA8; B4DE68; Q9NW95

Background:

Protein N-terminal glutamine amidohydrolase, also known as Protein NH2-terminal glutamine deamidase and WDYHV motif-containing protein 1, plays a crucial role in protein degradation. It specifically mediates the side-chain deamidation of N-terminal glutamine residues to glutamate, a key step in the N-end rule pathway. This conversion makes proteins susceptible to further modifications and degradation, highlighting its importance in cellular protein quality control.

Therapeutic significance:

Understanding the role of Protein N-terminal glutamine amidohydrolase could open doors to potential therapeutic strategies.

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