Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.
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.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library stands out due to several important features:
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.