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.
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 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P00480
UPID:
OTC_HUMAN
Alternative names:
Ornithine carbamoyltransferase, mitochondrial
Alternative UPACC:
P00480; A8K9P2; D3DWB0; Q3KNR1; Q6B0I1; Q9NYJ5
Background:
Ornithine transcarbamylase, mitochondrial, plays a pivotal role in the urea cycle by catalyzing the condensation of carbamoyl phosphate with L-ornithine to form L-citrulline. This process is crucial for the detoxification of ammonia, converting it to urea for excretion.
Therapeutic significance:
Ornithine carbamoyltransferase deficiency, a severe disorder linked to this protein, manifests as hyperammonemia. Treatment involves dietary adjustments and arginine supplementation, highlighting the protein's critical role in metabolic pathways and potential therapeutic targets.