Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
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
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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q99489
UPID:
OXDD_HUMAN
Alternative names:
-
Alternative UPACC:
Q99489; A8KAG4; Q5JXM4; Q5JXM5; Q5JXM6; Q8N552
Background:
D-aspartate oxidase, encoded by the gene with UniProt accession Q99489, plays a pivotal role in amino acid metabolism. It selectively catalyzes the oxidative deamination of D-aspartate and its N-methylated derivative, N-methyl D-aspartate. This enzyme's activity is crucial for the regulation of D-aspartate levels, which are significant in neurotransmission and neurodevelopment.
Therapeutic significance:
Understanding the role of D-aspartate oxidase could open doors to potential therapeutic strategies. Its involvement in amino acid metabolism and neurotransmitter regulation highlights its potential as a target for drug discovery, aiming to modulate neurodevelopmental and neurotransmission processes.