Focused On-demand Library for Aminopeptidase NAALADL1

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.

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

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 sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

Q9UQQ1

UPID:

NALDL_HUMAN

Alternative names:

100 kDa ileum brush border membrane protein; Ileal dipeptidylpeptidase; N-acetylated-alpha-linked acidic dipeptidase-like protein

Alternative UPACC:

Q9UQQ1; C9J8A1; C9J964; C9JL35; C9JSN0; O43176

Background:

Aminopeptidase NAALADL1, also known as the 100 kDa ileum brush border membrane protein, plays a crucial role in protein metabolism. It exhibits a broad substrate specificity, efficiently processing various peptides except those with specific residues at the P2' and P3' positions. This specificity underscores its unique enzymatic profile, distinguishing it from other peptidases.

Therapeutic significance:

Understanding the role of Aminopeptidase NAALADL1 could open doors to potential therapeutic strategies. Its enzymatic activity, pivotal in peptide metabolism, suggests its involvement in physiological processes that could be targeted in disease treatment.