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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9NWZ3
UPID:
IRAK4_HUMAN
Alternative names:
Renal carcinoma antigen NY-REN-64
Alternative UPACC:
Q9NWZ3; Q69FE1; Q8TDF7; Q9Y589
Background:
Interleukin-1 receptor-associated kinase 4 (IRAK4) is a serine/threonine-protein kinase pivotal in the innate immune response to pathogens. It is involved in signaling pathways initiated by Toll-like receptors and IL-1R, leading to NF-kappa-B activation. Alternative names include Renal carcinoma antigen NY-REN-64.
Therapeutic significance:
IRAK4's role in Immunodeficiency 67, a primary immunodeficiency with recurrent bacterial infections, highlights its potential as a therapeutic target. Understanding IRAK4's function could pave the way for novel treatments.