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.
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.
Key features that set our library apart include:
partner
Reaxense
upacc
O00625
UPID:
PIR_HUMAN
Alternative names:
Probable quercetin 2,3-dioxygenase PIR
Alternative UPACC:
O00625; Q5U0G0; Q6FHD2
Background:
Pirin, identified by its alternative name Probable quercetin 2,3-dioxygenase PIR, plays a pivotal role as a transcriptional coregulator of NF-kappa-B. This protein facilitates the binding of NF-kappa-B proteins to target kappa-B genes, influenced by the redox state. Additionally, Pirin is implicated in the terminal myeloid maturation of hematopoietic cells and exhibits quercetin 2,3-dioxygenase activity in vitro.
Therapeutic significance:
Understanding the role of Pirin could open doors to potential therapeutic strategies.