Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We employ our advanced, specialised process to create targeted 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
P00492
UPID:
HPRT_HUMAN
Alternative names:
-
Alternative UPACC:
P00492; A6NHF0; B2R8M9
Background:
Hypoxanthine-guanine phosphoribosyltransferase plays a pivotal role in the purine salvage pathway, converting guanine to guanosine monophosphate, and hypoxanthine to inosine monophosphate. This enzyme's activity is crucial for the generation of purine nucleotides, essential components of DNA and RNA.
Therapeutic significance:
Mutations in this enzyme are linked to Lesch-Nyhan syndrome and HPRT-related hyperuricemia, conditions marked by hyperuricemia and severe neurological symptoms. Targeting this enzyme's pathway offers a promising avenue for therapeutic intervention in these genetic disorders.