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 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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9NPH3
UPID:
IL1AP_HUMAN
Alternative names:
Interleukin-1 receptor 3
Alternative UPACC:
Q9NPH3; B1NLD0; D3DNW0; O14915; Q86WJ7
Background:
Interleukin-1 receptor accessory protein (IL1RAP), also known as Interleukin-1 receptor 3, plays a pivotal role in the IL-1 signaling system, enhancing the interleukin-1-dependent activation of NF-kappa-B and other pathways. It functions as a coreceptor with IL1R1, facilitating the formation of a high-affinity receptor complex crucial for signal transduction. IL1RAP's involvement extends to the IL-33 and IL-36 signaling systems, indicating its broad regulatory role in inflammatory responses.
Therapeutic significance:
Understanding the role of Interleukin-1 receptor accessory protein could open doors to potential therapeutic strategies, particularly in modulating inflammatory responses and immune system regulation.