Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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
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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q14117
UPID:
DPYS_HUMAN
Alternative names:
Dihydropyrimidine amidohydrolase; Hydantoinase
Alternative UPACC:
Q14117
Background:
Dihydropyrimidinase, also known as Dihydropyrimidine amidohydrolase or Hydantoinase, plays a crucial role in pyrimidine metabolism. It catalyzes the second step of reductive pyrimidine degradation, facilitating the hydrolytic ring opening of dihydropyrimidines. This enzyme's activity is pivotal in converting 5,6-dihydrouracil to N-carbamyl-alanine and 5,6-dihydrothymine to N-carbamyl-amino isobutyrate, essential steps in the catabolic pathway.
Therapeutic significance:
Dihydropyrimidinase deficiency, a disorder resulting from variants affecting the gene encoding this enzyme, manifests in a spectrum of symptoms from epileptic attacks to severe developmental delay. Understanding the role of Dihydropyrimidinase could open doors to potential therapeutic strategies, offering hope for targeted treatments.