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.
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.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening 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:
partner
Reaxense
upacc
Q9Y3Q0
UPID:
NALD2_HUMAN
Alternative names:
Glutamate carboxypeptidase III; N-acetylated-alpha-linked acidic dipeptidase II
Alternative UPACC:
Q9Y3Q0; B3KQR4; Q4KKV4; Q4VAM9
Background:
N-acetylated-alpha-linked acidic dipeptidase 2, also known as Glutamate carboxypeptidase III or N-acetylated-alpha-linked acidic dipeptidase II, plays a crucial role in the nervous system. It exhibits NAALADase activity and dipeptidyl-peptidase IV type activity, crucial for inactivating the peptide neurotransmitter N-acetylaspartylglutamate.
Therapeutic significance:
Understanding the role of N-acetylated-alpha-linked acidic dipeptidase 2 could open doors to potential therapeutic strategies.