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.
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 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.
We use our state-of-the-art dedicated workflow for designing focused 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P14920
UPID:
OXDA_HUMAN
Alternative names:
-
Alternative UPACC:
P14920; B2R7I5; Q16758; Q8N6R2
Background:
D-amino-acid oxidase plays a pivotal role in brain chemistry, regulating the levels of the neuromodulator D-serine, crucial for neurotransmission. It has a high activity towards D-DOPA, contributing to dopamine synthesis, and acts on various D-amino acids, which are implicated in aging and cognitive functions.
Therapeutic significance:
Given its involvement in schizophrenia, a complex disorder affecting thought, mood, and behavior, understanding D-amino-acid oxidase's function could lead to novel therapeutic strategies targeting this and potentially other neuropsychiatric conditions.