Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q8TBG4
UPID:
AT2L1_HUMAN
Alternative names:
Alanine--glyoxylate aminotransferase 2-like 1
Alternative UPACC:
Q8TBG4; B7Z1Y0; E9PBY0; Q9H174
Background:
Ethanolamine-phosphate phospho-lyase, also known as Alanine--glyoxylate aminotransferase 2-like 1, plays a crucial role in cellular metabolism. It catalyzes the pyridoxal-phosphate-dependent breakdown of phosphoethanolamine, converting it into ammonia, inorganic phosphate, and acetaldehyde. This enzymatic activity is vital for the proper functioning of various biological processes.
Therapeutic significance:
Understanding the role of Ethanolamine-phosphate phospho-lyase could open doors to potential therapeutic strategies. Its involvement in key metabolic pathways highlights its importance in maintaining cellular health and offers a promising avenue for drug discovery efforts aimed at modulating its activity.