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.
Our top-notch dedicated system is used to design specialised 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q96N76
UPID:
HUTU_HUMAN
Alternative names:
Imidazolonepropionate hydrolase
Alternative UPACC:
Q96N76; E9PE13; Q14C64; Q68CJ7
Background:
Urocanate hydratase, also known as Imidazolonepropionate hydrolase, plays a crucial role in the metabolism of histidine, a process vital for human health. This enzyme's function is to catalyze the conversion of urocanate to imidazolone-5-propionate, a key step in the histidine degradation pathway.
Therapeutic significance:
Urocanase deficiency, a rare genetic disorder, is directly linked to mutations in the gene encoding Urocanate hydratase. Patients exhibit neurological symptoms, including intellectual disability and ataxia, underscoring the enzyme's importance. Targeting Urocanate hydratase could lead to novel treatments for this metabolic condition.