Focused On-demand Library for Interleukin-1 receptor type 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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 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:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

P14778

UPID:

IL1R1_HUMAN

Alternative names:

CD121 antigen-like family member A; Interleukin-1 receptor alpha; Interleukin-1 receptor type I; p80

Alternative UPACC:

P14778; Q587I7

Background:

Interleukin-1 receptor type 1 (IL-1R1), encoded by the gene P14778, serves as a critical component in the immune response pathway. It acts as a receptor for interleukins IL1A, IL1B, and IL1RN, facilitating the formation of a high-affinity receptor complex with IL1RAP. This complex is pivotal in activating NF-kappa-B, MAPK, and other signaling pathways, essential for the immune response and inflammation regulation. IL-1R1's ability to bind ligands with comparable affinity and its role in IL1B-mediated costimulation of IFNG production from Th1 cells underscore its significance in immune modulation.

Therapeutic significance:

Understanding the role of Interleukin-1 receptor type 1 could open doors to potential therapeutic strategies.