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. Our collaborator, Reaxense, aids in their synthesis and provision.
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 sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9ULA0
UPID:
DNPEP_HUMAN
Alternative names:
-
Alternative UPACC:
Q9ULA0; Q9BW44; Q9NUV5; Q9NV55
Background:
Aspartyl aminopeptidase, encoded by the gene with the accession number Q9ULA0, is a crucial enzyme in the process of protein metabolism. It specifically targets and cleaves acidic amino acids from the N-terminus of peptides, a step essential for the proper functioning of cellular mechanisms.
Therapeutic significance:
Understanding the role of Aspartyl aminopeptidase could open doors to potential therapeutic strategies. Its involvement in intracellular protein and peptide metabolism suggests its significance in maintaining cellular health and preventing disease.